5-hydroxypyridine-3-carboxylic acid;hydrate

C6H7NO4 — CID 139205503

IUPAC5-hydroxypyridine-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cncc(O)c1
InChIInChI=1S/C6H5NO3.H2O/c8-5-1-4(6(9)10)2-7-3-5;/h1-3,8H,(H,9,10);1H2
InChIKeyIFNSPVOACUGNMF-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.34
Rot. Bonds1

About 5-hydroxypyridine-3-carboxylic acid;hydrate

5-hydroxypyridine-3-carboxylic acid;hydrate (PubChem CID 139205503) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 5-hydroxypyridine-3-carboxylic acid;hydrate.

Molecular Properties

Compound Name5-hydroxypyridine-3-carboxylic acid;hydrate
PubChem CID139205503
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name5-hydroxypyridine-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cncc(O)c1
InChIInChI=1S/C6H5NO3.H2O/c8-5-1-4(6(9)10)2-7-3-5;/h1-3,8H,(H,9,10);1H2
InChIKeyIFNSPVOACUGNMF-UHFFFAOYSA-N
XLogP-0.34
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone
CID 89196643
5-cyanopyridine-3-carboxylic acid
CID 22174782
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
3,5-dihydroxybenzoic acid
CID 66745884
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol
CID 130564945
4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 63851155

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypyridine-3-carboxylic acid;hydrate?
The IUPAC name of 5-hydroxypyridine-3-carboxylic acid;hydrate (CID 139205503) is 5-hydroxypyridine-3-carboxylic acid;hydrate.
What is the SMILES notation for 5-hydroxypyridine-3-carboxylic acid;hydrate?
The canonical SMILES for 5-hydroxypyridine-3-carboxylic acid;hydrate is O.O=C(O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxypyridine-3-carboxylic acid;hydrate?
The InChIKey is IFNSPVOACUGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.H2O/c8-5-1-4(6(9)10)2-7-3-5;/h1-3,8H,(H,9,10);1H2.
What are the key properties of 5-hydroxypyridine-3-carboxylic acid;hydrate?
5-hydroxypyridine-3-carboxylic acid;hydrate has a molecular weight of 157.12 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypyridine-3-carboxylic acid;hydrate is sourced from PubChem (CID 139205503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).