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

C8H3F6NO — CID 118848647

IUPAC2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C8H3F6NO/c9-5-3(2-16)1-4(8(12,13)14)15-6(5)7(10)11/h1-2,7H
InChIKeyOBOIYVHLMGCHGQ-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.99
Rot. Bonds2

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

2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 118848647) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID118848647
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C8H3F6NO/c9-5-3(2-16)1-4(8(12,13)14)15-6(5)7(10)11/h1-2,7H
InChIKeyOBOIYVHLMGCHGQ-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
4-(difluoromethyl)-3-methyl-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829306
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde (CID 118848647) is 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(C(F)(F)F)nc(C(F)F)c1F.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is OBOIYVHLMGCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-5-3(2-16)1-4(8(12,13)14)15-6(5)7(10)11/h1-2,7H.
What are the key properties of 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde?
2-(difluoromethyl)-3-fluoro-6-(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 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 118848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).