2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile

C19H12Cl2N2 — CID 56665735

IUPAC2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N2/c20-16-9-7-14(8-10-16)19(13-22,15-4-3-11-23-12-15)17-5-1-2-6-18(17)21/h1-12H
InChIKeyAZBJHAZVBBFANY-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.25
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile

2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile (PubChem CID 56665735) has the molecular formula C19H12Cl2N2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile
PubChem CID56665735
Molecular FormulaC19H12Cl2N2
Molecular Weight339.23 g/mol
Exact Mass338.04
IUPAC Name2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N2/c20-16-9-7-14(8-10-16)19(13-22,15-4-3-11-23-12-15)17-5-1-2-6-18(17)21/h1-12H
InChIKeyAZBJHAZVBBFANY-UHFFFAOYSA-N
XLogP5.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile (CID 56665735) is 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile is N#CC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile?
The InChIKey is AZBJHAZVBBFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2/c20-16-9-7-14(8-10-16)19(13-22,15-4-3-11-23-12-15)17-5-1-2-6-18(17)21/h1-12H.
What are the key properties of 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile?
2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile has a molecular weight of 339.23 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(4-chlorophenyl)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 56665735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).