2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid

C10H11N3O2 — CID 67731235

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C2=NCCN2)n1
InChIInChI=1S/C10H11N3O2/c1-6-2-3-7(10(14)15)8(13-6)9-11-4-5-12-9/h2-3H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyWJCWDQCLFSKUFQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.44
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid

2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 67731235) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID67731235
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C2=NCCN2)n1
InChIInChI=1S/C10H11N3O2/c1-6-2-3-7(10(14)15)8(13-6)9-11-4-5-12-9/h2-3H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyWJCWDQCLFSKUFQ-UHFFFAOYSA-N
XLogP0.44
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid (CID 67731235) is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(C2=NCCN2)n1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is WJCWDQCLFSKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-2-3-7(10(14)15)8(13-6)9-11-4-5-12-9/h2-3H,4-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid?
2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 67731235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).