5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C10H7F3N2O — CID 83840017

IUPAC5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1cccc2c(C=O)nc(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-8-7(5-16)14-9(15(6)8)10(11,12)13/h2-5H,1H3
InChIKeyPGKMBIWRPNYWFK-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.47
Rot. Bonds1

About 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 83840017) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID83840017
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1cccc2c(C=O)nc(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O/c1-6-3-2-4-8-7(5-16)14-9(15(6)8)10(11,12)13/h2-5H,1H3
InChIKeyPGKMBIWRPNYWFK-UHFFFAOYSA-N
XLogP2.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.47
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 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 83840017) is 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is Cc1cccc2c(C=O)nc(C(F)(F)F)n12.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is PGKMBIWRPNYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-3-2-4-8-7(5-16)14-9(15(6)8)10(11,12)13/h2-5H,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 228.17 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 83840017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).