1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde

C8H4BrFN2O — CID 83899516

IUPAC1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc(Br)c2cccc(F)n12
InChIInChI=1S/C8H4BrFN2O/c9-8-5-2-1-3-6(10)12(5)7(4-13)11-8/h1-4H
InChIKeyVOEXOIWQQWKIGR-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.05
Rot. Bonds1

About 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde

1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 83899516) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
PubChem CID83899516
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc(Br)c2cccc(F)n12
InChIInChI=1S/C8H4BrFN2O/c9-8-5-2-1-3-6(10)12(5)7(4-13)11-8/h1-4H
InChIKeyVOEXOIWQQWKIGR-UHFFFAOYSA-N
XLogP2.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 12222777
CID 12222777
CID 40152207
CID 40152207
CID 63771320
CID 63771320
CID 63772168
CID 63772168
CID 83839572
CID 83839572
CID 165999727
CID 165999727
CID 129606082
CID 129606082
CID 57355077
CID 57355077
CID 15072055
CID 15072055
CID 15072056
CID 15072056
CID 21286281
CID 21286281
CID 21286292
CID 21286292

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde (CID 83899516) is 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde is O=Cc1nc(Br)c2cccc(F)n12.
What is the InChIKey of 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is VOEXOIWQQWKIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-8-5-2-1-3-6(10)12(5)7(4-13)11-8/h1-4H.
What are the key properties of 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 243.03 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83899516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).