1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid

C10H9N3O2 — CID 82469769

IUPAC1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccn2)cn1
InChIInChI=1S/C10H9N3O2/c14-10(15)9-6-13(7-12-9)5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,14,15)
InChIKeyDOABLSXWJCSOCB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.02
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid

1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid (PubChem CID 82469769) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
PubChem CID82469769
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccn2)cn1
InChIInChI=1S/C10H9N3O2/c14-10(15)9-6-13(7-12-9)5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,14,15)
InChIKeyDOABLSXWJCSOCB-UHFFFAOYSA-N
XLogP1.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820
2-[(4-propan-2-ylimidazol-1-yl)methyl]pyridine
CID 142663682
1-(1H-benzimidazol-2-ylmethyl)imidazole-4-carboxylic acid
CID 71564696
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
CID 173156131
CID 173156131
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid
CID 114203651
1-(1-benzylimidazol-4-yl)propan-1-one
CID 167005039
gadolinium;pyridine-2-carboxylic acid
CID 175231422
1-[2-(benzylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497874

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid (CID 82469769) is 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid is O=C(O)c1cn(Cc2ccccn2)cn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid?
The InChIKey is DOABLSXWJCSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)9-6-13(7-12-9)5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,14,15).
What are the key properties of 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid?
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82469769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).