4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid

C15H8BrFN2O3 — CID 67003243

IUPAC4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)c(F)c1
InChIInChI=1S/C15H8BrFN2O3/c16-9-2-4-13-18-6-12(19(13)7-9)14(20)10-3-1-8(15(21)22)5-11(10)17/h1-7H,(H,21,22)
InChIKeySOCUENNQOLGMEH-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.17
Rot. Bonds3

About 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid

4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid (PubChem CID 67003243) has the molecular formula C15H8BrFN2O3 and a molecular weight of 363.14 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid
PubChem CID67003243
Molecular FormulaC15H8BrFN2O3
Molecular Weight363.14 g/mol
Exact Mass361.97
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)c(F)c1
InChIInChI=1S/C15H8BrFN2O3/c16-9-2-4-13-18-6-12(19(13)7-9)14(20)10-3-1-8(15(21)22)5-11(10)17/h1-7H,(H,21,22)
InChIKeySOCUENNQOLGMEH-UHFFFAOYSA-N
XLogP3.17
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid (CID 67003243) is 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid is O=C(O)c1ccc(C(=O)c2cnc3ccc(Br)cn23)c(F)c1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid?
The InChIKey is SOCUENNQOLGMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O3/c16-9-2-4-13-18-6-12(19(13)7-9)14(20)10-3-1-8(15(21)22)5-11(10)17/h1-7H,(H,21,22).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid?
4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid has a molecular weight of 363.14 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid is sourced from PubChem (CID 67003243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).