7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C9H5BrF2N2O — CID 139487551

IUPAC7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)F)n2ccc(Br)cc12
InChIInChI=1S/C9H5BrF2N2O/c10-5-1-2-14-7(3-5)6(4-15)13-9(14)8(11)12/h1-4,8H
InChIKeyDRJZSTLCBINORD-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.85
Rot. Bonds2

About 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 139487551) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID139487551
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)F)n2ccc(Br)cc12
InChIInChI=1S/C9H5BrF2N2O/c10-5-1-2-14-7(3-5)6(4-15)13-9(14)8(11)12/h1-4,8H
InChIKeyDRJZSTLCBINORD-UHFFFAOYSA-N
XLogP2.85
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.85
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-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 139487551) is 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C(F)F)n2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is DRJZSTLCBINORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-5-1-2-14-7(3-5)6(4-15)13-9(14)8(11)12/h1-4,8H.
What are the key properties of 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 275.05 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 139487551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).