1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid

C6H8N2O3 — CID 22498674

IUPAC1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid
SMILESNN1C=CC=C(C(=O)O)C1O
InChIInChI=1S/C6H8N2O3/c7-8-3-1-2-4(5(8)9)6(10)11/h1-3,5,9H,7H2,(H,10,11)
InChIKeyWALOKYPNXYFPPI-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.98
Rot. Bonds1

About 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid

1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid (PubChem CID 22498674) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid
PubChem CID22498674
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid
SMILESNN1C=CC=C(C(=O)O)C1O
InChIInChI=1S/C6H8N2O3/c7-8-3-1-2-4(5(8)9)6(10)11/h1-3,5,9H,7H2,(H,10,11)
InChIKeyWALOKYPNXYFPPI-UHFFFAOYSA-N
XLogP-0.98
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid (CID 22498674) is 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid is NN1C=CC=C(C(=O)O)C1O.
What is the InChIKey of 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid?
The InChIKey is WALOKYPNXYFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c7-8-3-1-2-4(5(8)9)6(10)11/h1-3,5,9H,7H2,(H,10,11).
What are the key properties of 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid?
1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroxy-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 22498674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).