2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile

C13H9ClN2 — CID 119012419

IUPAC2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(Cl)c1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2
InChIKeyNOABUDSHDWEBTE-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.47
Rot. Bonds2

About 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile

2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile (PubChem CID 119012419) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
PubChem CID119012419
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(Cl)c1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2
InChIKeyNOABUDSHDWEBTE-UHFFFAOYSA-N
XLogP3.47
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-(2-chloro-4-phenyl-3-pyridinyl)acetonitrile
CID 118991527
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)acetonitrile
CID 159099022
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
CID 140515655
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile (CID 119012419) is 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile is N#CCc1ccnc(Cl)c1-c1ccccc1.
What is the InChIKey of 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile?
The InChIKey is NOABUDSHDWEBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2.
What are the key properties of 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile?
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile has a molecular weight of 228.68 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile is sourced from PubChem (CID 119012419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).