2-(3,4-dimethylphenyl)pyridine-3-carbonitrile

C14H12N2 — CID 117001809

IUPAC2-(3,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ncccc2C#N)cc1C
InChIInChI=1S/C14H12N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,1-2H3
InChIKeyPPSAJGNPZGHJMB-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.24
Rot. Bonds1

About 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile

2-(3,4-dimethylphenyl)pyridine-3-carbonitrile (PubChem CID 117001809) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)pyridine-3-carbonitrile
PubChem CID117001809
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-(3,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ncccc2C#N)cc1C
InChIInChI=1S/C14H12N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,1-2H3
InChIKeyPPSAJGNPZGHJMB-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 69486425
[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
CID 82508499
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
5-(3,4-dimethylphenyl)-2-methylbenzonitrile
CID 138665963
2-(3-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 58049948
2-[5-amino-4-(3,4-dimethylphenyl)triazol-1-yl]benzonitrile
CID 82370409
2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
CID 70343483
2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile
CID 175991718
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226
2-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543470
ethane;5-methylquinoline-8-carbonitrile
CID 143801649

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile (CID 117001809) is 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2ncccc2C#N)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is PPSAJGNPZGHJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-5-6-12(8-11(10)2)14-13(9-15)4-3-7-16-14/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
2-(3,4-dimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 117001809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).