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

C9H7N3O2 — CID 82404817

IUPAC6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc[nH]2)n1
InChIInChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-6(12-7)8-4-10-5-11-8/h1-5H,(H,10,11)(H,13,14)
InChIKeyBHGJPEDRKSYURK-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.17
Rot. Bonds2

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

6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 82404817) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid
PubChem CID82404817
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc[nH]2)n1
InChIInChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-6(12-7)8-4-10-5-11-8/h1-5H,(H,10,11)(H,13,14)
InChIKeyBHGJPEDRKSYURK-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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Related Compounds

2-(1H-imidazol-5-yl)-6-nitrosopyridine
CID 122592443
CID 91986542
CID 91986542
2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyridine-2,6-dicarboxylic acid
CID 70576049
4-(1H-imidazol-5-yl)benzoic acid
CID 18617688
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
4-(1H-imidazol-5-yl)-2-phenylpyrimidine
CID 90707377
3-(1H-imidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 137212082
6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
6-(furan-2-yl)pyridine-2-carboxylic acid
CID 24730128

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid (CID 82404817) is 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc[nH]2)n1.
What is the InChIKey of 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is BHGJPEDRKSYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-6(12-7)8-4-10-5-11-8/h1-5H,(H,10,11)(H,13,14).
What are the key properties of 6-(1H-imidazol-5-yl)pyridine-2-carboxylic acid?
6-(1H-imidazol-5-yl)pyridine-2-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-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82404817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).