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

C14H10BrFN2O2 — CID 67963120

IUPAC6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21
InChIInChI=1S/C14H10BrFN2O2/c15-9-3-6-11-17-12(8-1-4-10(16)5-2-8)13(14(19)20)18(11)7-9/h1-7,12-13H,(H,19,20)
InChIKeyXAGSTHLDDXTWDE-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.84
Rot. Bonds2

About 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid

6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 67963120) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID67963120
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21
InChIInChI=1S/C14H10BrFN2O2/c15-9-3-6-11-17-12(8-1-4-10(16)5-2-8)13(14(19)20)18(11)7-9/h1-7,12-13H,(H,19,20)
InChIKeyXAGSTHLDDXTWDE-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 67963120) is 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is XAGSTHLDDXTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-9-3-6-11-17-12(8-1-4-10(16)5-2-8)13(14(19)20)18(11)7-9/h1-7,12-13H,(H,19,20).
What are the key properties of 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?
6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 337.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 67963120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).