5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde

C7H4BrF2NO2 — CID 167456756

IUPAC5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(Br)c(OC(F)F)n1
InChIInChI=1S/C7H4BrF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H
InChIKeyAZAGHBHODNRSGS-UHFFFAOYSA-N
MW252.01 g/mol
LogP2.26
Rot. Bonds3

About 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde

5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 167456756) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde
PubChem CID167456756
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(Br)c(OC(F)F)n1
InChIInChI=1S/C7H4BrF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H
InChIKeyAZAGHBHODNRSGS-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 52.26
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-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde (CID 167456756) is 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde is O=Cc1ccc(Br)c(OC(F)F)n1.
What is the InChIKey of 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is AZAGHBHODNRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H.
What are the key properties of 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde?
5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 252.01 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 167456756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).