3-hydroxy-5-nitropyridine-4-carboxylic acid

C6H4N2O5 — CID 131167695

IUPAC3-hydroxy-5-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1c(O)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H4N2O5/c9-4-2-7-1-3(8(12)13)5(4)6(10)11/h1-2,9H,(H,10,11)
InChIKeyWDPSKBYXKRWVOF-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.39
Rot. Bonds2

About 3-hydroxy-5-nitropyridine-4-carboxylic acid

3-hydroxy-5-nitropyridine-4-carboxylic acid (PubChem CID 131167695) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 3-hydroxy-5-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-nitropyridine-4-carboxylic acid
PubChem CID131167695
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name3-hydroxy-5-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1c(O)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H4N2O5/c9-4-2-7-1-3(8(12)13)5(4)6(10)11/h1-2,9H,(H,10,11)
InChIKeyWDPSKBYXKRWVOF-UHFFFAOYSA-N
XLogP0.39
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-nitropyridin-3-ol
CID 131057783
5-nitro-4-(trifluoromethyl)pyridin-3-ol
CID 131052344
2,6-dihydroxy-3-nitrobenzoic acid
CID 11171618
2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780
2-amino-3-hydroxy-6-nitrobenzoic acid
CID 138958646
2,4,6-trinitrobenzoic acid
CID 8518
azane;2,4,6-trinitrobenzoic acid
CID 173315139
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
2,6-dimethyl-3,5-dinitrobenzoic acid
CID 5224379
2-chloro-3-(difluoromethyl)-5-nitropyridine-4-carboxylic acid
CID 119025116
2-(3-bromo-5-nitro-4-pyridinyl)propanedioic acid
CID 68655260
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-nitropyridine-4-carboxylic acid?
The IUPAC name of 3-hydroxy-5-nitropyridine-4-carboxylic acid (CID 131167695) is 3-hydroxy-5-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-nitropyridine-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-nitropyridine-4-carboxylic acid is O=C(O)c1c(O)cncc1[N+](=O)[O-].
What is the InChIKey of 3-hydroxy-5-nitropyridine-4-carboxylic acid?
The InChIKey is WDPSKBYXKRWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-4-2-7-1-3(8(12)13)5(4)6(10)11/h1-2,9H,(H,10,11).
What are the key properties of 3-hydroxy-5-nitropyridine-4-carboxylic acid?
3-hydroxy-5-nitropyridine-4-carboxylic acid has a molecular weight of 184.11 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 131167695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).