4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine

C9H9F4NO2 — CID 118818475

IUPAC4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(CF)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C9H9F4NO2/c1-5-8(16-9(11,12)13)6(4-10)3-7(14-5)15-2/h3H,4H2,1-2H3
InChIKeyPYHNMDBYMANGCR-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.77
Rot. Bonds3

About 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine

4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 118818475) has the molecular formula C9H9F4NO2 and a molecular weight of 239.17 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
PubChem CID118818475
Molecular FormulaC9H9F4NO2
Molecular Weight239.17 g/mol
Exact Mass239.06
IUPAC Name4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(CF)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C9H9F4NO2/c1-5-8(16-9(11,12)13)6(4-10)3-7(14-5)15-2/h3H,4H2,1-2H3
InChIKeyPYHNMDBYMANGCR-UHFFFAOYSA-N
XLogP2.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine (CID 118818475) is 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine is COc1cc(CF)c(OC(F)(F)F)c(C)n1.
What is the InChIKey of 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is PYHNMDBYMANGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2/c1-5-8(16-9(11,12)13)6(4-10)3-7(14-5)15-2/h3H,4H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 239.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118818475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).