2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine

C13H6F7NO — CID 118848411

IUPAC2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2ccc(C(F)(F)F)nc2OC(F)F)c1F
InChIInChI=1S/C13H6F7NO/c14-8-3-1-2-6(10(8)15)7-4-5-9(13(18,19)20)21-11(7)22-12(16)17/h1-5,12H
InChIKeyLDNCXQJTGBTKNK-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.65
Rot. Bonds3

About 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine

2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 118848411) has the molecular formula C13H6F7NO and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID118848411
Molecular FormulaC13H6F7NO
Molecular Weight325.18 g/mol
Exact Mass325.03
IUPAC Name2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2ccc(C(F)(F)F)nc2OC(F)F)c1F
InChIInChI=1S/C13H6F7NO/c14-8-3-1-2-6(10(8)15)7-4-5-9(13(18,19)20)21-11(7)22-12(16)17/h1-5,12H
InChIKeyLDNCXQJTGBTKNK-UHFFFAOYSA-N
XLogP4.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 118854023
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
2-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 170837724
2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
CID 133089017
2-(2,3-dichlorophenyl)-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118830631
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
CID 157221283
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
CID 133089036

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine (CID 118848411) is 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine is Fc1cccc(-c2ccc(C(F)(F)F)nc2OC(F)F)c1F.
What is the InChIKey of 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is LDNCXQJTGBTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7NO/c14-8-3-1-2-6(10(8)15)7-4-5-9(13(18,19)20)21-11(7)22-12(16)17/h1-5,12H.
What are the key properties of 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine?
2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 325.18 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118848411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).