6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine

C8H8BrFN2 — CID 167617245

IUPAC6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC1=CN2C=C(Br)C=C(F)C2N1
InChIInChI=1S/C8H8BrFN2/c1-5-3-12-4-6(9)2-7(10)8(12)11-5/h2-4,8,11H,1H3
InChIKeyCUHFBQJIQDZWEW-UHFFFAOYSA-N
MW231.07 g/mol
LogP2.18
Rot. Bonds

About 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine

6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 167617245) has the molecular formula C8H8BrFN2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID167617245
Molecular FormulaC8H8BrFN2
Molecular Weight231.07 g/mol
Exact Mass229.99
IUPAC Name6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC1=CN2C=C(Br)C=C(F)C2N1
InChIInChI=1S/C8H8BrFN2/c1-5-3-12-4-6(9)2-7(10)8(12)11-5/h2-4,8,11H,1H3
InChIKeyCUHFBQJIQDZWEW-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine (CID 167617245) is 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine is CC1=CN2C=C(Br)C=C(F)C2N1.
What is the InChIKey of 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is CUHFBQJIQDZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2/c1-5-3-12-4-6(9)2-7(10)8(12)11-5/h2-4,8,11H,1H3.
What are the key properties of 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 231.07 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 167617245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).