2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile

C12H7ClFN3 — CID 28832788

IUPAC2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3/c13-10-6-9(3-4-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17)
InChIKeyIAPCHDFYPPTICB-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile

2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 28832788) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
PubChem CID28832788
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3/c13-10-6-9(3-4-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17)
InChIKeyIAPCHDFYPPTICB-UHFFFAOYSA-N
XLogP3.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluoroanilino)pyridine-3-carbonitrile
CID 24703722
2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
CID 18956142
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
CID 24693520

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile (CID 28832788) is 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is IAPCHDFYPPTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-10-6-9(3-4-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile?
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 247.66 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 28832788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).