3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol

C13H10F3NO2 — CID 175705095

IUPAC3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESCOc1cc(-c2cccc(O)c2)cnc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c1-19-11-6-9(7-17-12(11)13(14,15)16)8-3-2-4-10(18)5-8/h2-7,18H,1H3
InChIKeyNPEGBPPOTPQSDU-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.48
Rot. Bonds2

About 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol

3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol (PubChem CID 175705095) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol
PubChem CID175705095
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESCOc1cc(-c2cccc(O)c2)cnc1C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c1-19-11-6-9(7-17-12(11)13(14,15)16)8-3-2-4-10(18)5-8/h2-7,18H,1H3
InChIKeyNPEGBPPOTPQSDU-UHFFFAOYSA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)phenol
CID 39231875
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824
3-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155555120
3-[4-[(1S,2R)-2-aminocyclopropyl]-3-methoxyphenyl]phenol;hydrochloride
CID 66714565
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 167783043
3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
CID 68951423
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methylbutan-1-one
CID 167658009
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
3-methoxy-2-methyl-5-phenylpyridine
CID 133095590

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol?
The IUPAC name of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol (CID 175705095) is 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol?
The canonical SMILES for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol is COc1cc(-c2cccc(O)c2)cnc1C(F)(F)F.
What is the InChIKey of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol?
The InChIKey is NPEGBPPOTPQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-19-11-6-9(7-17-12(11)13(14,15)16)8-3-2-4-10(18)5-8/h2-7,18H,1H3.
What are the key properties of 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol?
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol has a molecular weight of 269.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol is sourced from PubChem (CID 175705095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).