6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile

C14H8ClN3 — CID 56604848

IUPAC6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H8ClN3/c15-11-6-4-10(5-7-11)13(9-17)14-3-1-2-12(8-16)18-14/h1-7,13H
InChIKeySRZKHSPNEUZBRY-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.26
Rot. Bonds2

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

6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile (PubChem CID 56604848) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile
PubChem CID56604848
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H8ClN3/c15-11-6-4-10(5-7-11)13(9-17)14-3-1-2-12(8-16)18-14/h1-7,13H
InChIKeySRZKHSPNEUZBRY-UHFFFAOYSA-N
XLogP3.26
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.26
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]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile (CID 56604848) is 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile is N#Cc1cccc(C(C#N)c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
The InChIKey is SRZKHSPNEUZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-11-6-4-10(5-7-11)13(9-17)14-3-1-2-12(8-16)18-14/h1-7,13H.
What are the key properties of 6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
6-[(4-chlorophenyl)-cyanomethyl]pyridine-2-carbonitrile has a molecular weight of 253.69 g/mol, XLogP of 3.26, 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]pyridine-2-carbonitrile is sourced from PubChem (CID 56604848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).