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

C8H9BrN2 — CID 66794327

IUPAC3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC1=C(Br)N2C=CC=CC2N1
InChIInChI=1S/C8H9BrN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5,7,10H,1H3
InChIKeyACUFNMCXUOGKAJ-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.89
Rot. Bonds

About 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine

3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 66794327) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID66794327
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESCC1=C(Br)N2C=CC=CC2N1
InChIInChI=1S/C8H9BrN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5,7,10H,1H3
InChIKeyACUFNMCXUOGKAJ-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine (CID 66794327) is 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine is CC1=C(Br)N2C=CC=CC2N1.
What is the InChIKey of 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is ACUFNMCXUOGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5,7,10H,1H3.
What are the key properties of 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine?
3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 213.08 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 66794327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).