methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C9H6BrFN2O2 — CID 122590755

IUPACmethyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Br)cn2c1F
InChIInChI=1S/C9H6BrFN2O2/c1-15-9(14)7-8(11)13-4-5(10)2-3-6(13)12-7/h2-4H,1H3
InChIKeyRJFPJBZYHXXNIJ-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.02
Rot. Bonds1

About methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate

methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 122590755) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID122590755
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Namemethyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Br)cn2c1F
InChIInChI=1S/C9H6BrFN2O2/c1-15-9(14)7-8(11)13-4-5(10)2-3-6(13)12-7/h2-4H,1H3
InChIKeyRJFPJBZYHXXNIJ-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate 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 methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 122590755) is methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2ccc(Br)cn2c1F.
What is the InChIKey of methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RJFPJBZYHXXNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c1-15-9(14)7-8(11)13-4-5(10)2-3-6(13)12-7/h2-4H,1H3.
What are the key properties of methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 273.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 122590755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).