6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde

C8H3F6NO — CID 130082465

IUPAC6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H3F6NO/c9-4-1-3(8(12,13)14)6(7(10)11)15-5(4)2-16/h1-2,7H
InChIKeyNEPBYVODARMJFJ-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.99
Rot. Bonds2

About 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde

6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130082465) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID130082465
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H3F6NO/c9-4-1-3(8(12,13)14)6(7(10)11)15-5(4)2-16/h1-2,7H
InChIKeyNEPBYVODARMJFJ-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

6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)pyridin-3-ol
CID 133106260
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 130082465) is 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c(C(F)(F)F)cc1F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is NEPBYVODARMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-4-1-3(8(12,13)14)6(7(10)11)15-5(4)2-16/h1-2,7H.
What are the key properties of 6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde?
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-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)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130082465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).