2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile

C13H8Cl2N2 — CID 56604893

IUPAC2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ncccc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-5-3-9(4-6-10)11(8-16)13-12(15)2-1-7-17-13/h1-7,11H
InChIKeyMFBOMJOABQXCFN-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.04
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile

2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile (PubChem CID 56604893) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile
PubChem CID56604893
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC Name2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ncccc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-5-3-9(4-6-10)11(8-16)13-12(15)2-1-7-17-13/h1-7,11H
InChIKeyMFBOMJOABQXCFN-UHFFFAOYSA-N
XLogP4.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.04
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-(3-chloro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile (CID 56604893) is 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile is N#CC(c1ccc(Cl)cc1)c1ncccc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile?
The InChIKey is MFBOMJOABQXCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-10-5-3-9(4-6-10)11(8-16)13-12(15)2-1-7-17-13/h1-7,11H.
What are the key properties of 2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile?
2-(4-chlorophenyl)-2-(3-chloro-2-pyridinyl)acetonitrile has a molecular weight of 263.13 g/mol, XLogP of 4.04, 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-(3-chloro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 56604893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).