3-hydroxypyridine-2-carboxylic acid

C6H5NO3 — CID 13401

IUPAC3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1O
InChIInChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
InChIKeyBRARRAHGNDUELT-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.49
Rot. Bonds1

About 3-hydroxypyridine-2-carboxylic acid

3-hydroxypyridine-2-carboxylic acid (PubChem CID 13401) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxypyridine-2-carboxylic acid
PubChem CID13401
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1O
InChIInChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
InChIKeyBRARRAHGNDUELT-UHFFFAOYSA-N
XLogP0.49
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxypyridine-2-carboxylic acid (CID 13401) is 3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxypyridine-2-carboxylic acid is O=C(O)c1ncccc1O.
What is the InChIKey of 3-hydroxypyridine-2-carboxylic acid?
The InChIKey is BRARRAHGNDUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10).
What are the key properties of 3-hydroxypyridine-2-carboxylic acid?
3-hydroxypyridine-2-carboxylic acid has a molecular weight of 139.11 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 13401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).