2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile

C14H11ClN2 — CID 56604842

IUPAC2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H11ClN2/c1-10-2-7-14(17-9-10)13(8-16)11-3-5-12(15)6-4-11/h2-7,9,13H,1H3
InChIKeyTZDMNGXBDHKRPC-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile

2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile (PubChem CID 56604842) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile
PubChem CID56604842
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H11ClN2/c1-10-2-7-14(17-9-10)13(8-16)11-3-5-12(15)6-4-11/h2-7,9,13H,1H3
InChIKeyTZDMNGXBDHKRPC-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile (CID 56604842) is 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile is Cc1ccc(C(C#N)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile?
The InChIKey is TZDMNGXBDHKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-2-7-14(17-9-10)13(8-16)11-3-5-12(15)6-4-11/h2-7,9,13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)acetonitrile?
2-(4-chlorophenyl)-2-(5-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-(5-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 56604842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).