2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile

C12H5ClF2N2S — CID 83077186

IUPAC2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H5ClF2N2S/c13-11-3-7(6-16)4-12(17-11)18-8-1-2-9(14)10(15)5-8/h1-5H
InChIKeyGQXMJKWZMYOZBJ-UHFFFAOYSA-N
MW282.70 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile

2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile (PubChem CID 83077186) has the molecular formula C12H5ClF2N2S and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile
PubChem CID83077186
Molecular FormulaC12H5ClF2N2S
Molecular Weight282.70 g/mol
Exact Mass281.98
IUPAC Name2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H5ClF2N2S/c13-11-3-7(6-16)4-12(17-11)18-8-1-2-9(14)10(15)5-8/h1-5H
InChIKeyGQXMJKWZMYOZBJ-UHFFFAOYSA-N
XLogP4.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile (CID 83077186) is 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Sc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile?
The InChIKey is GQXMJKWZMYOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF2N2S/c13-11-3-7(6-16)4-12(17-11)18-8-1-2-9(14)10(15)5-8/h1-5H.
What are the key properties of 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile?
2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile has a molecular weight of 282.70 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-difluorophenyl)sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 83077186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).