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

C13H9ClN2 — CID 122449325

IUPAC4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nccc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C13H9ClN2/c1-9-12(8-15)10(6-7-16-9)11-4-2-3-5-13(11)14/h2-7H,1H3
InChIKeyFPIUPVMBGYWUSB-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.58
Rot. Bonds1

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

4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile (PubChem CID 122449325) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile
PubChem CID122449325
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nccc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C13H9ClN2/c1-9-12(8-15)10(6-7-16-9)11-4-2-3-5-13(11)14/h2-7H,1H3
InChIKeyFPIUPVMBGYWUSB-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 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile (CID 122449325) is 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile is Cc1nccc(-c2ccccc2Cl)c1C#N.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is FPIUPVMBGYWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c1-9-12(8-15)10(6-7-16-9)11-4-2-3-5-13(11)14/h2-7H,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile?
4-(2-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 4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 122449325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).