2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine

C8H6F5NO2 — CID 165352768

IUPAC2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)c(OC(F)F)n1
InChIInChI=1S/C8H6F5NO2/c1-15-5-3-2-4(8(11,12)13)6(14-5)16-7(9)10/h2-3,7H,1H3
InChIKeyNUUURZJWRMMGRQ-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.71
Rot. Bonds3

About 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine

2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 165352768) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine
PubChem CID165352768
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)c(OC(F)F)n1
InChIInChI=1S/C8H6F5NO2/c1-15-5-3-2-4(8(11,12)13)6(14-5)16-7(9)10/h2-3,7H,1H3
InChIKeyNUUURZJWRMMGRQ-UHFFFAOYSA-N
XLogP2.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine (CID 165352768) is 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine is COc1ccc(C(F)(F)F)c(OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is NUUURZJWRMMGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-15-5-3-2-4(8(11,12)13)6(14-5)16-7(9)10/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine?
2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine has a molecular weight of 243.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 165352768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).