3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine

C9H7ClF5NO2 — CID 134670580

IUPAC3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1nc(OC(F)(F)F)c(C(F)F)cc1CCl
InChIInChI=1S/C9H7ClF5NO2/c1-17-7-4(3-10)2-5(6(11)12)8(16-7)18-9(13,14)15/h2,6H,3H2,1H3
InChIKeyZGDQRCOFVKAPNY-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.67
Rot. Bonds4

About 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine

3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine (PubChem CID 134670580) has the molecular formula C9H7ClF5NO2 and a molecular weight of 291.60 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
PubChem CID134670580
Molecular FormulaC9H7ClF5NO2
Molecular Weight291.60 g/mol
Exact Mass291.01
IUPAC Name3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1nc(OC(F)(F)F)c(C(F)F)cc1CCl
InChIInChI=1S/C9H7ClF5NO2/c1-17-7-4(3-10)2-5(6(11)12)8(16-7)18-9(13,14)15/h2,6H,3H2,1H3
InChIKeyZGDQRCOFVKAPNY-UHFFFAOYSA-N
XLogP3.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine (CID 134670580) is 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine is COc1nc(OC(F)(F)F)c(C(F)F)cc1CCl.
What is the InChIKey of 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine?
The InChIKey is ZGDQRCOFVKAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF5NO2/c1-17-7-4(3-10)2-5(6(11)12)8(16-7)18-9(13,14)15/h2,6H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine?
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine has a molecular weight of 291.60 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134670580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).