4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C9H7N3O3 — CID 98773604

IUPAC4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2cnc[nH]2)cc[nH]c1=O
InChIInChI=1S/C9H7N3O3/c13-8-7(9(14)15)5(1-2-11-8)6-3-10-4-12-6/h1-4H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyASXKQVBTMBLZQN-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.46
Rot. Bonds2

About 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 98773604) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID98773604
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2cnc[nH]2)cc[nH]c1=O
InChIInChI=1S/C9H7N3O3/c13-8-7(9(14)15)5(1-2-11-8)6-3-10-4-12-6/h1-4H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyASXKQVBTMBLZQN-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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Related Compounds

4-(1H-imidazol-5-yl)benzoic acid
CID 18617688
6-(1H-imidazol-5-yl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 98773605
2-hydroxy-7-(1H-imidazol-5-yl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 161453119
4-(4-chloro-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 82091381
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid
CID 82404817
4-(1H-imidazol-5-yl)-1H-imidazole-5-carboxylic acid
CID 55279302
4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 84605719
3-(1H-imidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454713
3-carbamoyl-2-[6-carboxy-2-(1H-imidazol-5-yl)-3-phenylphenyl]-5-hydroxyterephthalic acid
CID 175169890
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
CID 83829417

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 98773604) is 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2cnc[nH]2)cc[nH]c1=O.
What is the InChIKey of 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ASXKQVBTMBLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-8-7(9(14)15)5(1-2-11-8)6-3-10-4-12-6/h1-4H,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-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 4-(1H-imidazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 98773604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).