2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile

C14H11ClN2 — CID 56604824

IUPAC2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile
SMILESCc1cccc(C(C#N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2/c1-10-3-2-4-14(17-10)13(9-16)11-5-7-12(15)8-6-11/h2-8,13H,1H3
InChIKeyNWAHFQRWYRPRCS-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile

2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile (PubChem CID 56604824) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile
PubChem CID56604824
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile
SMILESCc1cccc(C(C#N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2/c1-10-3-2-4-14(17-10)13(9-16)11-5-7-12(15)8-6-11/h2-8,13H,1H3
InChIKeyNWAHFQRWYRPRCS-UHFFFAOYSA-N
XLogP3.70
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
7-Chloro-2-methylquinoline
CID 138395
ML318
CID 56604881
(-)-Chlorpheniramine
CID 716121
2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
7-Chloro-2,4-dimethylquinoline
CID 605770
2-Chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-Chloro-4-methylquinoline
CID 69449
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
CID 366010

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile (CID 56604824) is 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile is Cc1cccc(C(C#N)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile?
The InChIKey is NWAHFQRWYRPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-3-2-4-14(17-10)13(9-16)11-5-7-12(15)8-6-11/h2-8,13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile?
2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(6-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 56604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).