3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine

C8H4ClF6NO — CID 134659593

IUPAC3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
SMILESFc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1
InChIInChI=1S/C8H4ClF6NO/c9-2-4-3(6(11)12)1-5(10)16-7(4)17-8(13,14)15/h1,6H,2H2
InChIKeyCFAJRPYLQBSICE-UHFFFAOYSA-N
MW279.57 g/mol
LogP3.80
Rot. Bonds3

About 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine

3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine (PubChem CID 134659593) has the molecular formula C8H4ClF6NO and a molecular weight of 279.57 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
PubChem CID134659593
Molecular FormulaC8H4ClF6NO
Molecular Weight279.57 g/mol
Exact Mass278.99
IUPAC Name3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
SMILESFc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1
InChIInChI=1S/C8H4ClF6NO/c9-2-4-3(6(11)12)1-5(10)16-7(4)17-8(13,14)15/h1,6H,2H2
InChIKeyCFAJRPYLQBSICE-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670626
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
3-(chloromethyl)-4-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082120
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
ethyl 3-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133104034

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine (CID 134659593) is 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine is Fc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1.
What is the InChIKey of 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine?
The InChIKey is CFAJRPYLQBSICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6NO/c9-2-4-3(6(11)12)1-5(10)16-7(4)17-8(13,14)15/h1,6H,2H2.
What are the key properties of 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine?
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine has a molecular weight of 279.57 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134659593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).