4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile

C12H7ClFN3 — CID 62927040

IUPAC4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C12H7ClFN3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17)
InChIKeyJQGKNLFZKFOPOH-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.49
Rot. Bonds2

About 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile

4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile (PubChem CID 62927040) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
PubChem CID62927040
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2F)ccn1
InChIInChI=1S/C12H7ClFN3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17)
InChIKeyJQGKNLFZKFOPOH-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

4-(2,5-dichloroanilino)pyridine-2-carbonitrile
CID 62926848
4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
CID 62937273
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 104723770
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-(methylamino)pyridine-2-carbonitrile
CID 45079907

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile (CID 62927040) is 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile is N#Cc1cc(Nc2cc(Cl)ccc2F)ccn1.
What is the InChIKey of 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The InChIKey is JQGKNLFZKFOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17).
What are the key properties of 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
4-(5-chloro-2-fluoroanilino)pyridine-2-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 4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62927040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).