3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine

C13H9F4NO — CID 135293575

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine
SMILESCOc1cncc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C13H9F4NO/c1-19-10-4-9(6-18-7-10)8-2-3-11(12(14)5-8)13(15,16)17/h2-7H,1H3
InChIKeyYLLANSUFHZXCCG-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.92
Rot. Bonds2

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine

3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine (PubChem CID 135293575) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine
PubChem CID135293575
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine
SMILESCOc1cncc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C13H9F4NO/c1-19-10-4-9(6-18-7-10)8-2-3-11(12(14)5-8)13(15,16)17/h2-7H,1H3
InChIKeyYLLANSUFHZXCCG-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine (CID 135293575) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine is COc1cncc(-c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine?
The InChIKey is YLLANSUFHZXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-19-10-4-9(6-18-7-10)8-2-3-11(12(14)5-8)13(15,16)17/h2-7H,1H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine 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 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methoxypyridine is sourced from PubChem (CID 135293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).