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

C8H3ClF5NO2 — CID 119020715

IUPAC2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H3ClF5NO2/c9-6-5(17-8(12,13)14)3(2-16)1-4(15-6)7(10)11/h1-2,7H
InChIKeyFSVMTYLOSSNJQQ-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.38
Rot. Bonds3

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

2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 119020715) has the molecular formula C8H3ClF5NO2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID119020715
Molecular FormulaC8H3ClF5NO2
Molecular Weight275.56 g/mol
Exact Mass274.98
IUPAC Name2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H3ClF5NO2/c9-6-5(17-8(12,13)14)3(2-16)1-4(15-6)7(10)11/h1-2,7H
InChIKeyFSVMTYLOSSNJQQ-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 119020715) is 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)nc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is FSVMTYLOSSNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5NO2/c9-6-5(17-8(12,13)14)3(2-16)1-4(15-6)7(10)11/h1-2,7H.
What are the key properties of 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 275.56 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 119020715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).