2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile

C14H11ClN2 — CID 82085002

IUPAC2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
SMILESN#CC(Cc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-14-3-1-2-12(9-14)13(10-16)8-11-4-6-17-7-5-11/h1-7,9,13H,8H2
InChIKeyMMPCPQQDSFGBFJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile

2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile (PubChem CID 82085002) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
PubChem CID82085002
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
SMILESN#CC(Cc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2/c15-14-3-1-2-12(9-14)13(10-16)8-11-4-6-17-7-5-11/h1-7,9,13H,8H2
InChIKeyMMPCPQQDSFGBFJ-UHFFFAOYSA-N
XLogP3.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-3-pyridinyl)-2-(3-chlorophenyl)propanenitrile
CID 153089826
4-[2-(3-chlorophenyl)-2-isocyanatoethyl]pyridine
CID 82044850
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
[(3-chlorophenyl)-cyanomethyl]azanium chloride
CID 11206472
1-chloro-3-[1-(3-chlorophenyl)but-3-yn-2-yl]benzene
CID 91804158
2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141531
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile?
The IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile (CID 82085002) is 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile?
The canonical SMILES for 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile is N#CC(Cc1ccncc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile?
The InChIKey is MMPCPQQDSFGBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-3-1-2-12(9-14)13(10-16)8-11-4-6-17-7-5-11/h1-7,9,13H,8H2.
What are the key properties of 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile?
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile has a molecular weight of 242.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 82085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).