2-oxo-1H-pyridine-4-carboxylate

C6H4NO3- — CID 15944657

IUPAC2-oxo-1H-pyridine-4-carboxylate
SMILESO=C([O-])c1cc[nH]c(=O)c1
InChIInChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)/p-1
InChIKeyBXHCJLRTXPHUGH-UHFFFAOYSA-M
MW138.10 g/mol
LogP-1.26
Rot. Bonds1

About 2-oxo-1H-pyridine-4-carboxylate

2-oxo-1H-pyridine-4-carboxylate (PubChem CID 15944657) has the molecular formula C6H4NO3- and a molecular weight of 138.10 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name2-oxo-1H-pyridine-4-carboxylate
PubChem CID15944657
Molecular FormulaC6H4NO3-
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name2-oxo-1H-pyridine-4-carboxylate
SMILESO=C([O-])c1cc[nH]c(=O)c1
InChIInChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)/p-1
InChIKeyBXHCJLRTXPHUGH-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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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 2-oxo-1H-pyridine-4-carboxylate (CID 15944657) is 2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 2-oxo-1H-pyridine-4-carboxylate is O=C([O-])c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is BXHCJLRTXPHUGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)/p-1.
What are the key properties of 2-oxo-1H-pyridine-4-carboxylate?
2-oxo-1H-pyridine-4-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 2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 15944657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).