2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile

C13H9ClN2 — CID 1476365

IUPAC2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1nc(Cl)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c1-9-12(10-5-3-2-4-6-10)7-11(8-15)13(14)16-9/h2-7H,1H3
InChIKeyIKKNXDBSPNSUOA-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.58
Rot. Bonds1

About 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile

2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile (PubChem CID 1476365) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
PubChem CID1476365
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1nc(Cl)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H9ClN2/c1-9-12(10-5-3-2-4-6-10)7-11(8-15)13(14)16-9/h2-7H,1H3
InChIKeyIKKNXDBSPNSUOA-UHFFFAOYSA-N
XLogP3.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.58
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-chloro-5-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 114834305
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
CID 14011873
2,3,6-trimethyl-5-phenylpyridine
CID 102473268
2,5-bis[4-[4-(2,6-dimethyl-3-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169296997
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170299760
2-chloro-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-(4-methylphenyl)pyridine-3-carbonitrile
CID 145483206
2-methoxy-3-phenylbenzonitrile
CID 91276072
5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile
CID 114834392
12-chloro-4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-5-carbonitrile
CID 58034305
4-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile (CID 1476365) is 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile is Cc1nc(Cl)c(C#N)cc1-c1ccccc1.
What is the InChIKey of 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile?
The InChIKey is IKKNXDBSPNSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c1-9-12(10-5-3-2-4-6-10)7-11(8-15)13(14)16-9/h2-7H,1H3.
What are the key properties of 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile?
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile has a molecular weight of 228.68 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1476365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).