2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C9H6ClF6NO2 — CID 134671232

IUPAC2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cnc(CCl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c1-18-5-3-17-4(2-10)7(19-9(14,15)16)6(5)8(11,12)13/h3H,2H2,1H3
InChIKeyITUKAJBAUNOAHL-UHFFFAOYSA-N
MW309.59 g/mol
LogP3.75
Rot. Bonds3

About 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134671232) has the molecular formula C9H6ClF6NO2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134671232
Molecular FormulaC9H6ClF6NO2
Molecular Weight309.59 g/mol
Exact Mass309.00
IUPAC Name2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cnc(CCl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6ClF6NO2/c1-18-5-3-17-4(2-10)7(19-9(14,15)16)6(5)8(11,12)13/h3H,2H2,1H3
InChIKeyITUKAJBAUNOAHL-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

methyl 2-[2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134668336
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
2-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
3-(chloromethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113393
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676
methyl 2-[3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679506
ethyl 6-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679497
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
methyl 2-(chloromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660298
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134671232) is 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is COc1cnc(CCl)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is ITUKAJBAUNOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF6NO2/c1-18-5-3-17-4(2-10)7(19-9(14,15)16)6(5)8(11,12)13/h3H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
2-(chloromethyl)-5-methoxy-3-(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 2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).