6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid

C9H7N3O3 — CID 98773605

IUPAC6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C9H7N3O3/c13-5-1-6(8-3-10-4-11-8)12-7(2-5)9(14)15/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUFRMMXRXVCBAAG-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.46
Rot. Bonds2

About 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid

6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 98773605) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID98773605
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)cc(-c2cnc[nH]2)[nH]1
InChIInChI=1S/C9H7N3O3/c13-5-1-6(8-3-10-4-11-8)12-7(2-5)9(14)15/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUFRMMXRXVCBAAG-UHFFFAOYSA-N
XLogP0.46
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 98773605) is 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(=O)cc(-c2cnc[nH]2)[nH]1.
What is the InChIKey of 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is UFRMMXRXVCBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-5-1-6(8-3-10-4-11-8)12-7(2-5)9(14)15/h1-4H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid?
6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 98773605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).