6-oxo-1H-pyridine-2-carboxylate

C6H4NO3- — CID 6931643

IUPAC6-oxo-1H-pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(=O)[nH]1
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)/p-1
InChIKeyVRCWSYYXUCKEED-UHFFFAOYSA-M
MW138.10 g/mol
LogP-1.26
Rot. Bonds1

About 6-oxo-1H-pyridine-2-carboxylate

6-oxo-1H-pyridine-2-carboxylate (PubChem CID 6931643) has the molecular formula C6H4NO3- and a molecular weight of 138.10 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Name6-oxo-1H-pyridine-2-carboxylate
PubChem CID6931643
Molecular FormulaC6H4NO3-
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name6-oxo-1H-pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(=O)[nH]1
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)/p-1
InChIKeyVRCWSYYXUCKEED-UHFFFAOYSA-M
XLogP-1.26
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxypicolinic acid
CID 242721
Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CID 12342664
3-Fluoro-6-hydroxypicolinic acid
CID 21928318
(Z)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]but-2-enoic acid
CID 44267652
4-Amino-6-hydroxypyridine-2-carboxylic acid
CID 72215675
4,6-Dihydroxypyridine-2-carboxylic acid
CID 54703482
3,6-Dihydroxypicolinic acid
CID 54711677
5-Fluoro-6-hydroxypicolinic acid
CID 90645621
Methyl 4-fluoro-6-oxo-1,6-dihydropyridine-2-carboxylate
CID 118599022
fluoro 6-oxo-1H-pyridine-2-carboxylate
CID 174852930
4-Chloro-6-hydroxypicolinic acid
CID 26338171
Sodium 6-hydroxypicolinate
CID 129734006

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of 6-oxo-1H-pyridine-2-carboxylate (CID 6931643) is 6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for 6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for 6-oxo-1H-pyridine-2-carboxylate is O=C([O-])c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is VRCWSYYXUCKEED-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)/p-1.
What are the key properties of 6-oxo-1H-pyridine-2-carboxylate?
6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 138.10 g/mol, XLogP of -1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 6931643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).