[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol

C14H12F3NO2 — CID 68755731

IUPAC[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol
SMILESOCc1ccc(OCc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-20-13-6-5-10(8-19)7-18-13/h1-7,19H,8-9H2
InChIKeyLJPLIHGCPKPVKV-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.17
Rot. Bonds4

About [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol

[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol (PubChem CID 68755731) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol
PubChem CID68755731
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol
SMILESOCc1ccc(OCc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-20-13-6-5-10(8-19)7-18-13/h1-7,19H,8-9H2
InChIKeyLJPLIHGCPKPVKV-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol?
The IUPAC name of [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol (CID 68755731) is [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol?
The canonical SMILES for [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol is OCc1ccc(OCc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol?
The InChIKey is LJPLIHGCPKPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-20-13-6-5-10(8-19)7-18-13/h1-7,19H,8-9H2.
What are the key properties of [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol?
[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol has a molecular weight of 283.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 68755731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).