6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde

C9H7FN2O — CID 168943584

IUPAC6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1nc(C=O)c2ccc(F)cn12
InChIInChI=1S/C9H7FN2O/c1-6-11-8(5-13)9-3-2-7(10)4-12(6)9/h2-5H,1H3
InChIKeyKCKNQLFNIUZYCW-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.59
Rot. Bonds1

About 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde

6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 168943584) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID168943584
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1nc(C=O)c2ccc(F)cn12
InChIInChI=1S/C9H7FN2O/c1-6-11-8(5-13)9-3-2-7(10)4-12(6)9/h2-5H,1H3
InChIKeyKCKNQLFNIUZYCW-UHFFFAOYSA-N
XLogP1.59
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.59
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 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 168943584) is 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde is Cc1nc(C=O)c2ccc(F)cn12.
What is the InChIKey of 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is KCKNQLFNIUZYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6-11-8(5-13)9-3-2-7(10)4-12(6)9/h2-5H,1H3.
What are the key properties of 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde?
6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 178.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 168943584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).