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

C8H3BrF5NO — CID 130070871

IUPAC3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C8H3BrF5NO/c9-6-3(7(10)11)1-5(8(12,13)14)15-4(6)2-16/h1-2,7H
InChIKeyZIIDCNGFXOMJPM-UHFFFAOYSA-N
MW304.01 g/mol
LogP3.61
Rot. Bonds2

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

3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130070871) has the molecular formula C8H3BrF5NO and a molecular weight of 304.01 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID130070871
Molecular FormulaC8H3BrF5NO
Molecular Weight304.01 g/mol
Exact Mass302.93
IUPAC Name3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C8H3BrF5NO/c9-6-3(7(10)11)1-5(8(12,13)14)15-4(6)2-16/h1-2,7H
InChIKeyZIIDCNGFXOMJPM-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.01
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-3-methyl-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829306
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
3-bromo-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118704033
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
CID 119004848
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134674876
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde (CID 130070871) is 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)(F)F)cc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is ZIIDCNGFXOMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO/c9-6-3(7(10)11)1-5(8(12,13)14)15-4(6)2-16/h1-2,7H.
What are the key properties of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde?
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 304.01 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130070871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).