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

C9H8F5NO — CID 133100579

IUPAC5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)F)c(C)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-5(7(10)11)3-15-8(16-2)6(4)9(12,13)14/h3,7H,1-2H3
InChIKeyFAKQICMVRNITIX-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.36
Rot. Bonds2

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

5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine (PubChem CID 133100579) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
PubChem CID133100579
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)F)c(C)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-5(7(10)11)3-15-8(16-2)6(4)9(12,13)14/h3,7H,1-2H3
InChIKeyFAKQICMVRNITIX-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-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 130106020
5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine
CID 133099909
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
CID 133104534
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
CID 130087781
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine (CID 133100579) is 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine is COc1ncc(C(F)F)c(C)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is FAKQICMVRNITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-4-5(7(10)11)3-15-8(16-2)6(4)9(12,13)14/h3,7H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine?
5-(difluoromethyl)-2-methoxy-4-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)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133100579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).