7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde

C8H4BrFN2O — CID 139487346

IUPAC7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2cc(F)c(Br)cc12
InChIInChI=1S/C8H4BrFN2O/c9-5-1-8-7(3-13)11-4-12(8)2-6(5)10/h1-4H
InChIKeyJBHUZAZTNZUGQS-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.05
Rot. Bonds1

About 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde

7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 139487346) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID139487346
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2cc(F)c(Br)cc12
InChIInChI=1S/C8H4BrFN2O/c9-5-1-8-7(3-13)11-4-12(8)2-6(5)10/h1-4H
InChIKeyJBHUZAZTNZUGQS-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde (CID 139487346) is 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1ncn2cc(F)c(Br)cc12.
What is the InChIKey of 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is JBHUZAZTNZUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-5-1-8-7(3-13)11-4-12(8)2-6(5)10/h1-4H.
What are the key properties of 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde?
7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-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 7-bromo-6-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 139487346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).