6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile

C13H9ClN2 — CID 82391149

IUPAC6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1-c1ccc(C#N)cn1
InChIInChI=1S/C13H9ClN2/c1-9-2-4-11(14)6-12(9)13-5-3-10(7-15)8-16-13/h2-6,8H,1H3
InChIKeyMGTVMFWAVZLMEH-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.58
Rot. Bonds1

About 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile

6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 82391149) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile
PubChem CID82391149
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1-c1ccc(C#N)cn1
InChIInChI=1S/C13H9ClN2/c1-9-2-4-11(14)6-12(9)13-5-3-10(7-15)8-16-13/h2-6,8H,1H3
InChIKeyMGTVMFWAVZLMEH-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 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile (CID 82391149) is 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(Cl)cc1-c1ccc(C#N)cn1.
What is the InChIKey of 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is MGTVMFWAVZLMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c1-9-2-4-11(14)6-12(9)13-5-3-10(7-15)8-16-13/h2-6,8H,1H3.
What are the key properties of 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile?
6-(5-chloro-2-methylphenyl)pyridine-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 6-(5-chloro-2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82391149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).