2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile

C17H10ClN3 — CID 162406878

IUPAC2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccnc(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C17H10ClN3/c18-15-3-1-13(2-4-15)17-10-14(6-8-21-17)16-9-12(11-19)5-7-20-16/h1-10H
InChIKeyBMJMKGQJGMOEBS-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.34
Rot. Bonds2

About 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile

2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile (PubChem CID 162406878) has the molecular formula C17H10ClN3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
PubChem CID162406878
Molecular FormulaC17H10ClN3
Molecular Weight291.74 g/mol
Exact Mass291.06
IUPAC Name2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccnc(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C17H10ClN3/c18-15-3-1-13(2-4-15)17-10-14(6-8-21-17)16-9-12(11-19)5-7-20-16/h1-10H
InChIKeyBMJMKGQJGMOEBS-UHFFFAOYSA-N
XLogP4.34
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile 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

2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
CID 162413729
2-[4-(1H-pyrazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 56700738
2-[4-[6-[4-(4-cyano-2-pyridinyl)phenyl]pyren-1-yl]phenyl]pyridine-4-carbonitrile
CID 126542243
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-[4-[3,5-bis[4-(5-cyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-4-carbonitrile
CID 126542641
2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
CID 117001819
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile (CID 162406878) is 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccnc(-c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is BMJMKGQJGMOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3/c18-15-3-1-13(2-4-15)17-10-14(6-8-21-17)16-9-12(11-19)5-7-20-16/h1-10H.
What are the key properties of 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile?
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile has a molecular weight of 291.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 162406878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).