2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile

C16H15ClN2 — CID 94280813

IUPAC2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(Cl)c(C#N)c(C)c2C)cc1
InChIInChI=1S/C16H15ClN2/c1-4-12-5-7-13(8-6-12)15-11(3)10(2)14(9-18)16(17)19-15/h5-8H,4H2,1-3H3
InChIKeyJCZFEFDHOKMUTG-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.45
Rot. Bonds2

About 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile

2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 94280813) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
PubChem CID94280813
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(Cl)c(C#N)c(C)c2C)cc1
InChIInChI=1S/C16H15ClN2/c1-4-12-5-7-13(8-6-12)15-11(3)10(2)14(9-18)16(17)19-15/h5-8H,4H2,1-3H3
InChIKeyJCZFEFDHOKMUTG-UHFFFAOYSA-N
XLogP4.45
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.45
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-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2,4-diamino-6-[4-(4-ethylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398736
2-chloro-6-ethyl-8-fluoro-4-methylquinoline-3-carbonitrile
CID 137434420
2-chloro-6-(4-ethylphenyl)pyrimidine-4-carbonitrile
CID 39347922
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343141
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 82122645
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile (CID 94280813) is 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile is CCc1ccc(-c2nc(Cl)c(C#N)c(C)c2C)cc1.
What is the InChIKey of 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is JCZFEFDHOKMUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-4-12-5-7-13(8-6-12)15-11(3)10(2)14(9-18)16(17)19-15/h5-8H,4H2,1-3H3.
What are the key properties of 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile?
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 94280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).