6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile

C15H10ClN3 — CID 56604838

IUPAC6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(C(C#N)c2ccc(Cl)cc2)nc1C#N
InChIInChI=1S/C15H10ClN3/c1-10-2-7-14(19-15(10)9-18)13(8-17)11-3-5-12(16)6-4-11/h2-7,13H,1H3
InChIKeyPOZTUEADPLOOJY-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.57
Rot. Bonds2

About 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile

6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile (PubChem CID 56604838) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile
PubChem CID56604838
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(C(C#N)c2ccc(Cl)cc2)nc1C#N
InChIInChI=1S/C15H10ClN3/c1-10-2-7-14(19-15(10)9-18)13(8-17)11-3-5-12(16)6-4-11/h2-7,13H,1H3
InChIKeyPOZTUEADPLOOJY-UHFFFAOYSA-N
XLogP3.57
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile (CID 56604838) is 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile is Cc1ccc(C(C#N)c2ccc(Cl)cc2)nc1C#N.
What is the InChIKey of 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile?
The InChIKey is POZTUEADPLOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c1-10-2-7-14(19-15(10)9-18)13(8-17)11-3-5-12(16)6-4-11/h2-7,13H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile?
6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile has a molecular weight of 267.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-cyanomethyl]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 56604838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).