5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile

C12H6ClF2N3 — CID 83087655

IUPAC5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H
InChIKeyXMDDXZVWJSGNJC-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.63
Rot. Bonds2

About 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile

5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile (PubChem CID 83087655) has the molecular formula C12H6ClF2N3 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
PubChem CID83087655
Molecular FormulaC12H6ClF2N3
Molecular Weight265.65 g/mol
Exact Mass265.02
IUPAC Name5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H
InChIKeyXMDDXZVWJSGNJC-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

5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 83087105
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
CID 83087195
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
CID 83088195
5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
CID 86781943

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile (CID 83087655) is 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2c(F)cc(F)cc2Cl)cn1.
What is the InChIKey of 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile?
The InChIKey is XMDDXZVWJSGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H.
What are the key properties of 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile?
5-(2-chloro-4,6-difluoroanilino)pyridine-2-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 5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 83087655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).