5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile

C13H9ClN2 — CID 13079832

IUPAC5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1ncc(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C13H9ClN2/c1-9-11(7-15)6-12(8-16-9)10-2-4-13(14)5-3-10/h2-6,8H,1H3
InChIKeyWMUXZRHWXMGKHF-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.58
Rot. Bonds1

About 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile

5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile (PubChem CID 13079832) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
PubChem CID13079832
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1ncc(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C13H9ClN2/c1-9-11(7-15)6-12(8-16-9)10-2-4-13(14)5-3-10/h2-6,8H,1H3
InChIKeyWMUXZRHWXMGKHF-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile (CID 13079832) is 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile is Cc1ncc(-c2ccc(Cl)cc2)cc1C#N.
What is the InChIKey of 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is WMUXZRHWXMGKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c1-9-11(7-15)6-12(8-16-9)10-2-4-13(14)5-3-10/h2-6,8H,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-methylpyridine-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 5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 13079832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).