2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine

C9H8F5NO — CID 133099889

IUPAC2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)F)c(C)cc1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-3-5(9(12,13)14)8(16-2)15-6(4)7(10)11/h3,7H,1-2H3
InChIKeyCTUAKYJGKDDIQU-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.36
Rot. Bonds2

About 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine

2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine (PubChem CID 133099889) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
PubChem CID133099889
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)F)c(C)cc1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-3-5(9(12,13)14)8(16-2)15-6(4)7(10)11/h3,7H,1-2H3
InChIKeyCTUAKYJGKDDIQU-UHFFFAOYSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
2-(difluoromethyl)-6-methoxy-5-methylpyridin-3-amine
CID 130105827
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653
6-chloro-2-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 130073844
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
CID 130110747

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine (CID 133099889) is 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine is COc1nc(C(F)F)c(C)cc1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is CTUAKYJGKDDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-4-3-5(9(12,13)14)8(16-2)15-6(4)7(10)11/h3,7H,1-2H3.
What are the key properties of 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine?
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 241.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133099889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).