1,5-dibromo-3-ethylimidazo[1,5-a]pyridine

C9H8Br2N2 — CID 84744172

IUPAC1,5-dibromo-3-ethylimidazo[1,5-a]pyridine
SMILESCCc1nc(Br)c2cccc(Br)n12
InChIInChI=1S/C9H8Br2N2/c1-2-8-12-9(11)6-4-3-5-7(10)13(6)8/h3-5H,2H2,1H3
InChIKeySTBNCFZABBLULT-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.42
Rot. Bonds1

About 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine

1,5-dibromo-3-ethylimidazo[1,5-a]pyridine (PubChem CID 84744172) has the molecular formula C9H8Br2N2 and a molecular weight of 303.99 g/mol. Its IUPAC name is 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1,5-dibromo-3-ethylimidazo[1,5-a]pyridine
PubChem CID84744172
Molecular FormulaC9H8Br2N2
Molecular Weight303.99 g/mol
Exact Mass301.91
IUPAC Name1,5-dibromo-3-ethylimidazo[1,5-a]pyridine
SMILESCCc1nc(Br)c2cccc(Br)n12
InChIInChI=1S/C9H8Br2N2/c1-2-8-12-9(11)6-4-3-5-7(10)13(6)8/h3-5H,2H2,1H3
InChIKeySTBNCFZABBLULT-UHFFFAOYSA-N
XLogP3.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
CID 83867452
1-(1-bromo-5-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117253182
5-bromo-1,3-dimethylimidazo[1,5-a]pyridine
CID 83839586
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
CID 117253162
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743102
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
1-bromo-3-tert-butylimidazo[1,5-a]pyridin-5-amine
CID 83844677
3-(2-aminoethyl)-5-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743006
3-ethyl-5-methoxyimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552261
1-bromo-3-(furan-2-ylmethyl)imidazo[1,5-a]pyridin-5-amine
CID 117250918
1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253004

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine?
The IUPAC name of 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine (CID 84744172) is 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine?
The canonical SMILES for 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine is CCc1nc(Br)c2cccc(Br)n12.
What is the InChIKey of 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine?
The InChIKey is STBNCFZABBLULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2/c1-2-8-12-9(11)6-4-3-5-7(10)13(6)8/h3-5H,2H2,1H3.
What are the key properties of 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine?
1,5-dibromo-3-ethylimidazo[1,5-a]pyridine has a molecular weight of 303.99 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-ethylimidazo[1,5-a]pyridine is sourced from PubChem (CID 84744172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).