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

C12H10N2O5 — CID 158299306

IUPAC6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO3.C6H5NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-4H,(H,8,9)
InChIKeyGMHOZRWWWHQNEJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.85
Rot. Bonds2

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

6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid (PubChem CID 158299306) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid
PubChem CID158299306
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO3.C6H5NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-4H,(H,8,9)
InChIKeyGMHOZRWWWHQNEJ-UHFFFAOYSA-N
XLogP0.85
TPSA120.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
N-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 110724902
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
iodoethane;pyridine-3-carboxylic acid
CID 158495952
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid (CID 158299306) is 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1.O=C(O)c1cccnc1.
What is the InChIKey of 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid?
The InChIKey is GMHOZRWWWHQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C6H5NO2/c8-5-2-1-4(3-7-5)6(9)10;8-6(9)5-2-1-3-7-4-5/h1-3H,(H,7,8)(H,9,10);1-4H,(H,8,9).
What are the key properties of 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid?
6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-3-carboxylic acid;pyridine-3-carboxylic acid is sourced from PubChem (CID 158299306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).