2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid

C10H9N3O2 — CID 84671306

IUPAC2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
SMILESCn1ccnc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C10H9N3O2/c1-13-5-4-12-9(13)8-6-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
InChIKeyLSBHKXUECQSLBH-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.18
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid

2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 84671306) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
PubChem CID84671306
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
SMILESCn1ccnc1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C10H9N3O2/c1-13-5-4-12-9(13)8-6-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
InChIKeyLSBHKXUECQSLBH-UHFFFAOYSA-N
XLogP1.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
5-(1-methylimidazol-2-yl)furan-3-carboxylic acid
CID 130653758
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
2-[5-(4-chloro-2-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407838
2-[2-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70730144
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid (CID 84671306) is 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid is Cn1ccnc1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is LSBHKXUECQSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-13-5-4-12-9(13)8-6-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid?
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 84671306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).