6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile

C13H7FN4 — CID 82016345

IUPAC6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C13H7FN4/c14-10-4-5-12(9(6-10)7-15)18-13-3-1-2-11(8-16)17-13/h1-6H,(H,17,18)
InChIKeyMQPDGDXZBSQYBY-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.71
Rot. Bonds2

About 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile

6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile (PubChem CID 82016345) has the molecular formula C13H7FN4 and a molecular weight of 238.22 g/mol. Its IUPAC name is 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
PubChem CID82016345
Molecular FormulaC13H7FN4
Molecular Weight238.22 g/mol
Exact Mass238.07
IUPAC Name6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(F)cc2C#N)n1
InChIInChI=1S/C13H7FN4/c14-10-4-5-12(9(6-10)7-15)18-13-3-1-2-11(8-16)17-13/h1-6H,(H,17,18)
InChIKeyMQPDGDXZBSQYBY-UHFFFAOYSA-N
XLogP2.71
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
3-bromo-4-[(6-cyano-2-pyridinyl)amino]benzoic acid
CID 64589353
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile (CID 82016345) is 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2ccc(F)cc2C#N)n1.
What is the InChIKey of 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile?
The InChIKey is MQPDGDXZBSQYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4/c14-10-4-5-12(9(6-10)7-15)18-13-3-1-2-11(8-16)17-13/h1-6H,(H,17,18).
What are the key properties of 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile?
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile has a molecular weight of 238.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 82016345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).