2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid

C14H10BrFN2O2 — CID 67217761

IUPAC2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1N2C=CC=CC2=NC1(Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-14(9-4-6-10(16)7-5-9)12(13(19)20)18-8-2-1-3-11(18)17-14/h1-8,12H,(H,19,20)
InChIKeyOYYLRKQLABMRFG-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.62
Rot. Bonds2

About 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid

2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 67217761) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID67217761
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1N2C=CC=CC2=NC1(Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-14(9-4-6-10(16)7-5-9)12(13(19)20)18-8-2-1-3-11(18)17-14/h1-8,12H,(H,19,20)
InChIKeyOYYLRKQLABMRFG-UHFFFAOYSA-N
XLogP2.62
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
6-Bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 67963120
Ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963127
6-Bromo-2-(4-fluorophenyl)-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 91358177
4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 122634379
2-ethyl-2-(2-fluorophenyl)-3H-imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 156095345
methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236793

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid (CID 67217761) is 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)C1N2C=CC=CC2=NC1(Br)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OYYLRKQLABMRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-14(9-4-6-10(16)7-5-9)12(13(19)20)18-8-2-1-3-11(18)17-14/h1-8,12H,(H,19,20).
What are the key properties of 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid?
2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 337.15 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 67217761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).