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

C7H7BrN2 — CID 130393861

IUPAC3-bromo-2,3-dihydroimidazo[1,2-a]pyridine
SMILESBrC1CN=C2C=CC=CN21
InChIInChI=1S/C7H7BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-4,6H,5H2
InChIKeyXJIIITOTVYPVMC-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.50
Rot. Bonds

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

3-bromo-2,3-dihydroimidazo[1,2-a]pyridine (PubChem CID 130393861) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2,3-dihydroimidazo[1,2-a]pyridine
PubChem CID130393861
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name3-bromo-2,3-dihydroimidazo[1,2-a]pyridine
SMILESBrC1CN=C2C=CC=CN21
InChIInChI=1S/C7H7BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-4,6H,5H2
InChIKeyXJIIITOTVYPVMC-UHFFFAOYSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine (CID 130393861) is 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine is BrC1CN=C2C=CC=CN21.
What is the InChIKey of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?
The InChIKey is XJIIITOTVYPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-4,6H,5H2.
What are the key properties of 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine?
3-bromo-2,3-dihydroimidazo[1,2-a]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,3-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 130393861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).