2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine

C13H9F4NO — CID 90122737

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
SMILESCOc1cccnc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4NO/c1-19-11-3-2-6-18-12(11)9-7-8(13(15,16)17)4-5-10(9)14/h2-7H,1H3
InChIKeyFPOWWBHCQIUVTF-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.92
Rot. Bonds2

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine

2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine (PubChem CID 90122737) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
PubChem CID90122737
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
SMILESCOc1cccnc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4NO/c1-19-11-3-2-6-18-12(11)9-7-8(13(15,16)17)4-5-10(9)14/h2-7H,1H3
InChIKeyFPOWWBHCQIUVTF-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 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine (CID 90122737) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine is COc1cccnc1-c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine?
The InChIKey is FPOWWBHCQIUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-19-11-3-2-6-18-12(11)9-7-8(13(15,16)17)4-5-10(9)14/h2-7H,1H3.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-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 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine is sourced from PubChem (CID 90122737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).