6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid

C9H7N3O2 — CID 19864555

IUPAC6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-1-2-7(12-5-6)8-10-3-4-11-8/h1-5H,(H,10,11)(H,13,14)
InChIKeyZKGQNKNFKCRBPB-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.17
Rot. Bonds2

About 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid

6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 19864555) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid
PubChem CID19864555
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-1-2-7(12-5-6)8-10-3-4-11-8/h1-5H,(H,10,11)(H,13,14)
InChIKeyZKGQNKNFKCRBPB-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid (CID 19864555) is 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is ZKGQNKNFKCRBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)6-1-2-7(12-5-6)8-10-3-4-11-8/h1-5H,(H,10,11)(H,13,14).
What are the key properties of 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid?
6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19864555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).