5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid

C10H9N3O3 — CID 136921451

IUPAC5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc(-c2ccccn2)c1O
InChIInChI=1S/C10H9N3O3/c1-13-8(10(15)16)12-7(9(13)14)6-4-2-3-5-11-6/h2-5,14H,1H3,(H,15,16)
InChIKeyPAXWPQFFCLSFPH-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.89
Rot. Bonds2

About 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid

5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid (PubChem CID 136921451) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
PubChem CID136921451
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc(-c2ccccn2)c1O
InChIInChI=1S/C10H9N3O3/c1-13-8(10(15)16)12-7(9(13)14)6-4-2-3-5-11-6/h2-5,14H,1H3,(H,15,16)
InChIKeyPAXWPQFFCLSFPH-UHFFFAOYSA-N
XLogP0.89
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
4-iodo-1-methyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 121211601
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid
CID 70651137
2-phenylpyridine;propan-2-one
CID 174845023
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
CID 28805947
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid (CID 136921451) is 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid is Cn1c(C(=O)O)nc(-c2ccccn2)c1O.
What is the InChIKey of 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid?
The InChIKey is PAXWPQFFCLSFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-13-8(10(15)16)12-7(9(13)14)6-4-2-3-5-11-6/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid?
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid is sourced from PubChem (CID 136921451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).