6-oxo-1H-pyridine-3-carboxylic acid

C12H10N2O6 — CID 161433889

IUPAC6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/2C6H5NO3/c2*8-5-2-1-4(3-7-5)6(9)10/h2*1-3H,(H,7,8)(H,9,10)
InChIKeyVYJPLAOGXNXHRO-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.15
Rot. Bonds2

About 6-oxo-1H-pyridine-3-carboxylic acid

6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 161433889) has the molecular formula C12H10N2O6 and a molecular weight of 278.22 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID161433889
Molecular FormulaC12H10N2O6
Molecular Weight278.22 g/mol
Exact Mass278.05
IUPAC Name6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/2C6H5NO3/c2*8-5-2-1-4(3-7-5)6(9)10/h2*1-3H,(H,7,8)(H,9,10)
InChIKeyVYJPLAOGXNXHRO-UHFFFAOYSA-N
XLogP0.15
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid
CID 158299306
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 63651939
(2S)-2-amino-2-methyl-3-oxo-3-(6-oxo-1H-pyridin-3-yl)propanamide
CID 87870630
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
terephthalic acid
CID 160582437
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 60989966
(4-benzoylphenyl) 6-oxo-1H-pyridine-3-carboxylate
CID 2572020
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid (CID 161433889) is 6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is VYJPLAOGXNXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5NO3/c2*8-5-2-1-4(3-7-5)6(9)10/h2*1-3H,(H,7,8)(H,9,10).
What are the key properties of 6-oxo-1H-pyridine-3-carboxylic acid?
6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 278.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 161433889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).