6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile

C12H7ClFN3 — CID 64595678

IUPAC6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H7ClFN3/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17)
InChIKeyBZZBBRZLOCLECH-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.49
Rot. Bonds2

About 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile

6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile (PubChem CID 64595678) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
PubChem CID64595678
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C12H7ClFN3/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17)
InChIKeyBZZBBRZLOCLECH-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

6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-(5-chloro-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143482
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile (CID 64595678) is 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
The InChIKey is BZZBBRZLOCLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-8-4-5-10(14)11(6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,(H,16,17).
What are the key properties of 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile?
6-(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 6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64595678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).