(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H12F3NO2 — CID 105096587

IUPAC(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1cncc(C(O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-9-5-11(8-18-7-9)13(19)10-3-2-4-12(6-10)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeySRDANVJPYABOCX-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.37
Rot. Bonds3

About (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol

(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 105096587) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID105096587
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1cncc(C(O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-9-5-11(8-18-7-9)13(19)10-3-2-4-12(6-10)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeySRDANVJPYABOCX-UHFFFAOYSA-N
XLogP3.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 105096587) is (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol is Cc1cncc(C(O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is SRDANVJPYABOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-5-11(8-18-7-9)13(19)10-3-2-4-12(6-10)20-14(15,16)17/h2-8,13,19H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 283.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 105096587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).