1,2-dihydroxy-2H-pyridine-3-carboxylic acid

C6H7NO4 — CID 141103097

IUPAC1,2-dihydroxy-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=CN(O)C1O
InChIInChI=1S/C6H7NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,5,8,11H,(H,9,10)
InChIKeyXLLNYVGLMUWFKZ-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.47
Rot. Bonds1

About 1,2-dihydroxy-2H-pyridine-3-carboxylic acid

1,2-dihydroxy-2H-pyridine-3-carboxylic acid (PubChem CID 141103097) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 1,2-dihydroxy-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydroxy-2H-pyridine-3-carboxylic acid
PubChem CID141103097
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name1,2-dihydroxy-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC=CN(O)C1O
InChIInChI=1S/C6H7NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,5,8,11H,(H,9,10)
InChIKeyXLLNYVGLMUWFKZ-UHFFFAOYSA-N
XLogP-0.47
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1,2-dihydroxy-2H-pyridine-3-carboxylic acid (CID 141103097) is 1,2-dihydroxy-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1,2-dihydroxy-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1,2-dihydroxy-2H-pyridine-3-carboxylic acid is O=C(O)C1=CC=CN(O)C1O.
What is the InChIKey of 1,2-dihydroxy-2H-pyridine-3-carboxylic acid?
The InChIKey is XLLNYVGLMUWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-5-4(6(9)10)2-1-3-7(5)11/h1-3,5,8,11H,(H,9,10).
What are the key properties of 1,2-dihydroxy-2H-pyridine-3-carboxylic acid?
1,2-dihydroxy-2H-pyridine-3-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 141103097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).