2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine

C13H9F4NO — CID 133089532

IUPAC2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2cccc(C(F)(F)F)c2)c(F)n1
InChIInChI=1S/C13H9F4NO/c1-19-11-6-5-10(12(14)18-11)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3
InChIKeyHFIYLHUKLLNFNL-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.92
Rot. Bonds2

About 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine

2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089532) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID133089532
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2cccc(C(F)(F)F)c2)c(F)n1
InChIInChI=1S/C13H9F4NO/c1-19-11-6-5-10(12(14)18-11)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3
InChIKeyHFIYLHUKLLNFNL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
2-fluoro-6-methoxy-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089531
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline
CID 15239013
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 11725302

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine (CID 133089532) is 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2cccc(C(F)(F)F)c2)c(F)n1.
What is the InChIKey of 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HFIYLHUKLLNFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-19-11-6-5-10(12(14)18-11)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine?
2-fluoro-6-methoxy-3-[3-(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 2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).