2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile

C13H7Cl2FN2 — CID 56604851

IUPAC2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile
SMILESN#CC(c1cccc(Cl)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7Cl2FN2/c14-8-4-5-9(11(16)6-8)10(7-17)12-2-1-3-13(15)18-12/h1-6,10H
InChIKeyAIDQZABXXMIHQX-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.18
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile

2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile (PubChem CID 56604851) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile
PubChem CID56604851
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile
SMILESN#CC(c1cccc(Cl)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7Cl2FN2/c14-8-4-5-9(11(16)6-8)10(7-17)12-2-1-3-13(15)18-12/h1-6,10H
InChIKeyAIDQZABXXMIHQX-UHFFFAOYSA-N
XLogP4.18
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile (CID 56604851) is 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile is N#CC(c1cccc(Cl)n1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile?
The InChIKey is AIDQZABXXMIHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-8-4-5-9(11(16)6-8)10(7-17)12-2-1-3-13(15)18-12/h1-6,10H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile?
2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 56604851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).