5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine

C13H9F4NO — CID 133089593

IUPAC5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)c(F)cn1
InChIInChI=1S/C13H9F4NO/c1-19-12-6-9(11(14)7-18-12)8-4-2-3-5-10(8)13(15,16)17/h2-7H,1H3
InChIKeyXHZBKXUPRROONM-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.92
Rot. Bonds2

About 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine

5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089593) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID133089593
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)c(F)cn1
InChIInChI=1S/C13H9F4NO/c1-19-12-6-9(11(14)7-18-12)8-4-2-3-5-10(8)13(15,16)17/h2-7H,1H3
InChIKeyXHZBKXUPRROONM-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methoxy-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089531
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088677
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996521
6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134631360
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620758
2-chloro-6-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 119004606
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine (CID 133089593) is 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine is COc1cc(-c2ccccc2C(F)(F)F)c(F)cn1.
What is the InChIKey of 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XHZBKXUPRROONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-19-12-6-9(11(14)7-18-12)8-4-2-3-5-10(8)13(15,16)17/h2-7H,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine?
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 271.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).