6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid

C7H5N3O3 — CID 89110306

IUPAC6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(=O)[nH]c1N
InChIInChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)6(11)10-5(3)9/h1H,(H,12,13)(H3,9,10,11)
InChIKeyXZLQBFNRDIAFHI-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.47
Rot. Bonds1

About 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid

6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 89110306) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID89110306
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(=O)[nH]c1N
InChIInChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)6(11)10-5(3)9/h1H,(H,12,13)(H3,9,10,11)
InChIKeyXZLQBFNRDIAFHI-UHFFFAOYSA-N
XLogP-0.47
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[(5-carboxy-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanyl]ethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
CID 34055232
5-cyano-6-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 3505099
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
2-amino-4-(4-cyano-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405432
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
5-amino-2-cyano-4-fluorobenzoic acid
CID 21266837
5-amino-4-chloro-2-cyanobenzoic acid
CID 171018667
2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
5-cyano-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82410221
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
5-cyano-4-ethyl-2-methylbenzoic acid
CID 130892603

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid (CID 89110306) is 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is XZLQBFNRDIAFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)6(11)10-5(3)9/h1H,(H,12,13)(H3,9,10,11).
What are the key properties of 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid?
6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 89110306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).