2-[3,5-bis(trifluoromethyl)phenoxy]pyridine

C13H7F6NO — CID 90899440

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
SMILESFC(F)(F)c1cc(Oc2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-5-9(13(17,18)19)7-10(6-8)21-11-3-1-2-4-20-11/h1-7H
InChIKeyXPHQVAHGRIYCOG-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.91
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine

2-[3,5-bis(trifluoromethyl)phenoxy]pyridine (PubChem CID 90899440) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
PubChem CID90899440
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
SMILESFC(F)(F)c1cc(Oc2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-5-9(13(17,18)19)7-10(6-8)21-11-3-1-2-4-20-11/h1-7H
InChIKeyXPHQVAHGRIYCOG-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-pyridin-2-yloxyphenyl) 3-(trifluoromethyl)benzenesulfonate
CID 24656913
2-(3-bromo-5-fluorophenoxy)pyridine
CID 81332605
ethane;2-phenoxypyridine
CID 90835857
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
propan-2-yl (Z)-3-[3-[3-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 58503865
propan-2-yl (E)-3-[3-[3-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 66996698
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
N-[3,5-bis(trifluoromethyl)phenoxy]aniline
CID 158887487
2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
CID 175975799
[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine (CID 90899440) is 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine is FC(F)(F)c1cc(Oc2ccccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine?
The InChIKey is XPHQVAHGRIYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)8-5-9(13(17,18)19)7-10(6-8)21-11-3-1-2-4-20-11/h1-7H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine?
2-[3,5-bis(trifluoromethyl)phenoxy]pyridine has a molecular weight of 307.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 90899440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).