2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C13H5Cl2F3N2 — CID 1477200

IUPAC2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C13H5Cl2F3N2/c14-8-3-1-2-7(4-8)11-5-10(13(16,17)18)9(6-19)12(15)20-11/h1-5H
InChIKeyJXRGSEZMZQLIPO-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.95
Rot. Bonds1

About 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1477200) has the molecular formula C13H5Cl2F3N2 and a molecular weight of 317.10 g/mol. Its IUPAC name is 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1477200
Molecular FormulaC13H5Cl2F3N2
Molecular Weight317.10 g/mol
Exact Mass315.98
IUPAC Name2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C13H5Cl2F3N2/c14-8-3-1-2-7(4-8)11-5-10(13(16,17)18)9(6-19)12(15)20-11/h1-5H
InChIKeyJXRGSEZMZQLIPO-UHFFFAOYSA-N
XLogP4.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.95
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-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1477200) is 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1Cl.
What is the InChIKey of 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JXRGSEZMZQLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3N2/c14-8-3-1-2-7(4-8)11-5-10(13(16,17)18)9(6-19)12(15)20-11/h1-5H.
What are the key properties of 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 317.10 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1477200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).