[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C21H19F3N2O — CID 56682754

IUPAC[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19F3N2O/c1-26(2)19-11-9-16(10-12-19)20(27,18-4-3-13-25-14-18)15-5-7-17(8-6-15)21(22,23)24/h3-14,27H,1-2H3
InChIKeyIXLNOSDUVKDOJW-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.45
Rot. Bonds4

About [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56682754) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56682754
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19F3N2O/c1-26(2)19-11-9-16(10-12-19)20(27,18-4-3-13-25-14-18)15-5-7-17(8-6-15)21(22,23)24/h3-14,27H,1-2H3
InChIKeyIXLNOSDUVKDOJW-UHFFFAOYSA-N
XLogP4.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56682754) is [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is CN(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is IXLNOSDUVKDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-26(2)19-11-9-16(10-12-19)20(27,18-4-3-13-25-14-18)15-5-7-17(8-6-15)21(22,23)24/h3-14,27H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
[4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 372.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56682754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).