Home Cart Sign in  
Alternatived Products of [ 352220-15-6 ]
Product Citations

Product Details of [ 352220-15-6 ]

CAS No. :352220-15-6 MDL No. :MFCD00879782
Formula : C10H15ClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :VTMZQNZVYCJLGG-UHFFFAOYSA-N
M.W : 198.69 Pubchem ID :167266
Synonyms :

Calculated chemistry of [ 352220-15-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 60.0
TPSA : 24.92 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.77
Log Po/w (WLOGP) : 1.99
Log Po/w (MLOGP) : 1.46
Log Po/w (SILICOS-IT) : 2.26
Consensus Log Po/w : 1.5

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.46
Solubility : 0.685 mg/ml ; 0.00345 mol/l
Class : Soluble
Log S (Ali) : -1.91
Solubility : 2.44 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.22
Solubility : 0.119 mg/ml ; 0.000598 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.15

Safety of [ 352220-15-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Parent Nucleus of
[ 352220-15-6 ]

Pyridines

Chemical Structure| 494-52-0

[ 494-52-0 ]

(S)-3-(Piperidin-2-yl)pyridine

Similarity: 0.98

Chemical Structure| 288247-82-5

[ 288247-82-5 ]

(R)-3-(Pyrrolidin-2-yl)pyridine dihydrochloride

Similarity: 0.96

Chemical Structure| 287966-92-1

[ 287966-92-1 ]

(S)-3-(Pyrrolidin-2-yl)pyridine dihydrochloride

Similarity: 0.96

Chemical Structure| 494-97-3

[ 494-97-3 ]

(S)-3-(Pyrrolidin-2-yl)pyridine

Similarity: 0.94

Chemical Structure| 5746-86-1

[ 5746-86-1 ]

3-(Pyrrolidin-2-yl)pyridine

Similarity: 0.94

Piperidines

Chemical Structure| 494-52-0

[ 494-52-0 ]

(S)-3-(Piperidin-2-yl)pyridine

Similarity: 0.98

Chemical Structure| 690261-73-5

[ 690261-73-5 ]

3-(Piperidin-4-yl)pyridine hydrochloride

Similarity: 0.79

Chemical Structure| 581-45-3

[ 581-45-3 ]

4-(Piperidin-4-yl)pyridine

Similarity: 0.69

Chemical Structure| 40864-10-6

[ 40864-10-6 ]

2-(Piperidin-3-yl)pyridine

Similarity: 0.68

Chemical Structure| 1998216-38-8

[ 1998216-38-8 ]

3-Bromo-5-(piperidin-2-yl)pyridine dihydrochloride

Similarity: 0.67

; ;