6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile

C12H6ClF2N3 — CID 83087105

IUPAC6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Cl)nc1
InChIInChI=1S/C12H6ClF2N3/c13-9-3-8(14)4-10(15)12(9)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18)
InChIKeyOHTSTTHCZUPBQZ-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.63
Rot. Bonds2

About 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile

6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile (PubChem CID 83087105) has the molecular formula C12H6ClF2N3 and a molecular weight of 265.65 g/mol. Its IUPAC name is 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
PubChem CID83087105
Molecular FormulaC12H6ClF2N3
Molecular Weight265.65 g/mol
Exact Mass265.02
IUPAC Name6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Cl)nc1
InChIInChI=1S/C12H6ClF2N3/c13-9-3-8(14)4-10(15)12(9)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18)
InChIKeyOHTSTTHCZUPBQZ-UHFFFAOYSA-N
XLogP3.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-dichloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 83078578
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
CID 83087195
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
CID 83088195
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 83082816

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile (CID 83087105) is 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile is N#Cc1ccc(Nc2c(F)cc(F)cc2Cl)nc1.
What is the InChIKey of 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile?
The InChIKey is OHTSTTHCZUPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3/c13-9-3-8(14)4-10(15)12(9)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18).
What are the key properties of 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile?
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile has a molecular weight of 265.65 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 83087105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).