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

C8H3F6NO — CID 130082471

IUPAC5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3F6NO/c9-6-4(2-16)15-1-3(7(10)11)5(6)8(12,13)14/h1-2,7H
InChIKeyUVZPNWGZFVKSQO-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.99
Rot. Bonds2

About 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde

5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130082471) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID130082471
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3F6NO/c9-6-4(2-16)15-1-3(7(10)11)5(6)8(12,13)14/h1-2,7H
InChIKeyUVZPNWGZFVKSQO-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

5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 130099393
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
CID 133104534
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 130082471) is 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)F)c(C(F)(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is UVZPNWGZFVKSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-6-4(2-16)15-1-3(7(10)11)5(6)8(12,13)14/h1-2,7H.
What are the key properties of 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde?
5-(difluoromethyl)-3-fluoro-4-(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 5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130082471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).