2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid

C11H10FN3O2 — CID 130447063

IUPAC2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid
SMILESCc1cc(-c2cn(CC(=O)O)cn2)cc(F)n1
InChIInChI=1S/C11H10FN3O2/c1-7-2-8(3-10(12)14-7)9-4-15(6-13-9)5-11(16)17/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyUGDTYOJTOZOCOS-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid

2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid (PubChem CID 130447063) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid
PubChem CID130447063
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid
SMILESCc1cc(-c2cn(CC(=O)O)cn2)cc(F)n1
InChIInChI=1S/C11H10FN3O2/c1-7-2-8(3-10(12)14-7)9-4-15(6-13-9)5-11(16)17/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyUGDTYOJTOZOCOS-UHFFFAOYSA-N
XLogP1.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid (CID 130447063) is 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid is Cc1cc(-c2cn(CC(=O)O)cn2)cc(F)n1.
What is the InChIKey of 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid?
The InChIKey is UGDTYOJTOZOCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-2-8(3-10(12)14-7)9-4-15(6-13-9)5-11(16)17/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid?
2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid has a molecular weight of 235.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-6-methyl-4-pyridinyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 130447063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).