5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine

C9H8F5NO — CID 133099909

IUPAC5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)F)cnc(C)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-6(9(12,13)14)7(16-2)5(3-15-4)8(10)11/h3,8H,1-2H3
InChIKeyPTXLQQMINSZZDW-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.36
Rot. Bonds2

About 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine

5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 133099909) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine
PubChem CID133099909
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)F)cnc(C)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-6(9(12,13)14)7(16-2)5(3-15-4)8(10)11/h3,8H,1-2H3
InChIKeyPTXLQQMINSZZDW-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

5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
CID 133100579
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
ethyl 2-[5-(difluoromethyl)-2-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029308
5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
CID 133104534
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine (CID 133099909) is 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine is COc1c(C(F)F)cnc(C)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is PTXLQQMINSZZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-4-6(9(12,13)14)7(16-2)5(3-15-4)8(10)11/h3,8H,1-2H3.
What are the key properties of 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine?
5-(difluoromethyl)-4-methoxy-2-methyl-3-(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 5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133099909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).