2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate

C6H7NO5 — CID 70540764

IUPAC2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C6H5NO4.H2O/c8-4-1-3(6(10)11)2-5(9)7-4;/h1-2H,(H,10,11)(H2,7,8,9);1H2
InChIKeyUGOFFOSQJLPAMX-UHFFFAOYSA-N
MW173.12 g/mol
LogP-1.05
Rot. Bonds1

About 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate

2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate (PubChem CID 70540764) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate
PubChem CID70540764
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C6H5NO4.H2O/c8-4-1-3(6(10)11)2-5(9)7-4;/h1-2H,(H,10,11)(H2,7,8,9);1H2
InChIKeyUGOFFOSQJLPAMX-UHFFFAOYSA-N
XLogP-1.05
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate?
The IUPAC name of 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate (CID 70540764) is 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate.
What is the SMILES notation for 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate?
The canonical SMILES for 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate is O.O=C(O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate?
The InChIKey is UGOFFOSQJLPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4.H2O/c8-4-1-3(6(10)11)2-5(9)7-4;/h1-2H,(H,10,11)(H2,7,8,9);1H2.
What are the key properties of 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate?
2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate has a molecular weight of 173.12 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate is sourced from PubChem (CID 70540764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).