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

C8H3F6NO — CID 133104326

IUPAC6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1-2,6H
InChIKeyZZRBGOIRYHHBFE-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.99
Rot. Bonds2

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

6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 133104326) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID133104326
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1-2,6H
InChIKeyZZRBGOIRYHHBFE-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103752
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118850698
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde (CID 133104326) is 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)nc(F)c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is ZZRBGOIRYHHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-6(10)4-1-3(2-16)5(7(11)15-4)8(12,13)14/h1-2,6H.
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde?
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 243.11 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133104326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).