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

C8H3ClF5NO — CID 118850698

IUPAC4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H3ClF5NO/c9-3-1-4(7(10)11)15-5(2-16)6(3)8(12,13)14/h1-2,7H
InChIKeyRRIRMNOIIFVCGL-UHFFFAOYSA-N
MW259.56 g/mol
LogP3.50
Rot. Bonds2

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

4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118850698) has the molecular formula C8H3ClF5NO and a molecular weight of 259.56 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID118850698
Molecular FormulaC8H3ClF5NO
Molecular Weight259.56 g/mol
Exact Mass258.98
IUPAC Name4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H3ClF5NO/c9-3-1-4(7(10)11)15-5(2-16)6(3)8(12,13)14/h1-2,7H
InChIKeyRRIRMNOIIFVCGL-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.56
LogP ≤ 53.50
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-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725
4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800366
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118806264

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde (CID 118850698) is 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is RRIRMNOIIFVCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO/c9-3-1-4(7(10)11)15-5(2-16)6(3)8(12,13)14/h1-2,7H.
What are the key properties of 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde?
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 259.56 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118850698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).