[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol

C20H16F3NO2 — CID 89134226

IUPAC[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
SMILESC=C1C=CC(c2cccc(CO)c2)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO2/c1-14-5-6-17(16-4-2-3-15(11-16)13-25)12-24(14)18-7-9-19(10-8-18)26-20(21,22)23/h2-12,25H,1,13H2
InChIKeyPIJLSCZFTUFDRF-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.01
Rot. Bonds4

About [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol

[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol (PubChem CID 89134226) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
PubChem CID89134226
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol
SMILESC=C1C=CC(c2cccc(CO)c2)=CN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO2/c1-14-5-6-17(16-4-2-3-15(11-16)13-25)12-24(14)18-7-9-19(10-8-18)26-20(21,22)23/h2-12,25H,1,13H2
InChIKeyPIJLSCZFTUFDRF-UHFFFAOYSA-N
XLogP5.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol (CID 89134226) is [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol is C=C1C=CC(c2cccc(CO)c2)=CN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol?
The InChIKey is PIJLSCZFTUFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c1-14-5-6-17(16-4-2-3-15(11-16)13-25)12-24(14)18-7-9-19(10-8-18)26-20(21,22)23/h2-12,25H,1,13H2.
What are the key properties of [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol?
[3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol has a molecular weight of 359.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-methylidene-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 89134226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).