2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid

C11H11N3O2 — CID 62351244

IUPAC2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ncn(-c2ncccc2C(=O)O)c1C
InChIInChI=1S/C11H11N3O2/c1-7-8(2)14(6-13-7)10-9(11(15)16)4-3-5-12-10/h3-6H,1-2H3,(H,15,16)
InChIKeyIHSWUSRTOMGKGP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.58
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid

2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 62351244) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
PubChem CID62351244
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1ncn(-c2ncccc2C(=O)O)c1C
InChIInChI=1S/C11H11N3O2/c1-7-8(2)14(6-13-7)10-9(11(15)16)4-3-5-12-10/h3-6H,1-2H3,(H,15,16)
InChIKeyIHSWUSRTOMGKGP-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid (CID 62351244) is 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid is Cc1ncn(-c2ncccc2C(=O)O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is IHSWUSRTOMGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-8(2)14(6-13-7)10-9(11(15)16)4-3-5-12-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid?
2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62351244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).