4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H3BrF5NO2 — CID 118817416

IUPAC4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H3BrF5NO2/c9-3-1-4(7(10)11)15-5(2-16)6(3)17-8(12,13)14/h1-2,7H
InChIKeyVLKDDHJBPUSOIB-UHFFFAOYSA-N
MW320.01 g/mol
LogP3.49
Rot. Bonds3

About 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde

4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 118817416) has the molecular formula C8H3BrF5NO2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID118817416
Molecular FormulaC8H3BrF5NO2
Molecular Weight320.01 g/mol
Exact Mass318.93
IUPAC Name4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H3BrF5NO2/c9-3-1-4(7(10)11)15-5(2-16)6(3)17-8(12,13)14/h1-2,7H
InChIKeyVLKDDHJBPUSOIB-UHFFFAOYSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119023805
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118850698
4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118811818
4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113003
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 118817416) is 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is VLKDDHJBPUSOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO2/c9-3-1-4(7(10)11)15-5(2-16)6(3)17-8(12,13)14/h1-2,7H.
What are the key properties of 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 320.01 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 118817416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).