1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde

C8H4ClFN2O — CID 83880377

IUPAC1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc(Cl)c2c(F)cccn12
InChIInChI=1S/C8H4ClFN2O/c9-8-7-5(10)2-1-3-12(7)6(4-13)11-8/h1-4H
InChIKeyZSDMMAHAROCXGE-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.94
Rot. Bonds1

About 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde

1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 83880377) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
PubChem CID83880377
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc(Cl)c2c(F)cccn12
InChIInChI=1S/C8H4ClFN2O/c9-8-7-5(10)2-1-3-12(7)6(4-13)11-8/h1-4H
InChIKeyZSDMMAHAROCXGE-UHFFFAOYSA-N
XLogP1.94
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.94
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 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde (CID 83880377) is 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde is O=Cc1nc(Cl)c2c(F)cccn12.
What is the InChIKey of 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is ZSDMMAHAROCXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-8-7-5(10)2-1-3-12(7)6(4-13)11-8/h1-4H.
What are the key properties of 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde?
1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 198.58 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-fluoroimidazo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83880377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).