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

C8H3ClF5NO — CID 130075823

IUPAC6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3ClF5NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1-2,7H
InChIKeyFTBWWWHKSOFZQB-UHFFFAOYSA-N
MW259.56 g/mol
LogP3.50
Rot. Bonds2

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

6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075823) has the molecular formula C8H3ClF5NO and a molecular weight of 259.56 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075823
Molecular FormulaC8H3ClF5NO
Molecular Weight259.56 g/mol
Exact Mass258.98
IUPAC Name6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3ClF5NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1-2,7H
InChIKeyFTBWWWHKSOFZQB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde (CID 130075823) is 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(Cl)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is FTBWWWHKSOFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO/c9-5-1-3(8(12,13)14)6(7(10)11)4(2-16)15-5/h1-2,7H.
What are the key properties of 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde?
6-chloro-3-(difluoromethyl)-4-(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 6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).