3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C9H6ClF6NO2 — CID 134665228

IUPAC3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1nc(OC(F)(F)F)cc(C(F)(F)F)c1CCl
InChIInChI=1S/C9H6ClF6NO2/c1-18-7-4(3-10)5(8(11,12)13)2-6(17-7)19-9(14,15)16/h2H,3H2,1H3
InChIKeyBXCSVXDMVNKDFO-UHFFFAOYSA-N
MW309.59 g/mol
LogP3.75
Rot. Bonds3

About 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134665228) has the molecular formula C9H6ClF6NO2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134665228
Molecular FormulaC9H6ClF6NO2
Molecular Weight309.59 g/mol
Exact Mass309.00
IUPAC Name3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1nc(OC(F)(F)F)cc(C(F)(F)F)c1CCl
InChIInChI=1S/C9H6ClF6NO2/c1-18-7-4(3-10)5(8(11,12)13)2-6(17-7)19-9(14,15)16/h2H,3H2,1H3
InChIKeyBXCSVXDMVNKDFO-UHFFFAOYSA-N
XLogP3.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
CID 130113330
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134669452
2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134668297
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
2-bromo-3-methyl-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006706
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134665228) is 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is COc1nc(OC(F)(F)F)cc(C(F)(F)F)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is BXCSVXDMVNKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF6NO2/c1-18-7-4(3-10)5(8(11,12)13)2-6(17-7)19-9(14,15)16/h2H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 309.59 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134665228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).