3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid

C13H9FN4O2 — CID 82685237

IUPAC3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
SMILESN#Cc1cc(F)ccc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C13H9FN4O2/c14-8-1-2-10(7(5-8)6-15)18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,16H2,(H,17,18)(H,19,20)
InChIKeyUAJKECODAIVTAD-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid

3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid (PubChem CID 82685237) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
PubChem CID82685237
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
SMILESN#Cc1cc(F)ccc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C13H9FN4O2/c14-8-1-2-10(7(5-8)6-15)18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,16H2,(H,17,18)(H,19,20)
InChIKeyUAJKECODAIVTAD-UHFFFAOYSA-N
XLogP2.12
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-(2-cyano-4-fluoroanilino)-2-methylbenzoic acid
CID 63674787
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
2-amino-3-(2-cyano-4-fluoroanilino)benzamide
CID 82684668
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
4-(2-cyano-4-fluoroanilino)-3-methylbenzoic acid
CID 82015745
3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 79043675
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid (CID 82685237) is 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid is N#Cc1cc(F)ccc1Nc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is UAJKECODAIVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-8-1-2-10(7(5-8)6-15)18-12-11(16)9(13(19)20)3-4-17-12/h1-5H,16H2,(H,17,18)(H,19,20).
What are the key properties of 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid?
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 82685237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).