[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol

C19H17F3N2O — CID 23154981

IUPAC[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
SMILESCc1ccc(C)n1-c1ccc(C(O)c2ccncc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O/c1-12-3-4-13(2)24(12)15-5-6-16(17(11-15)19(20,21)22)18(25)14-7-9-23-10-8-14/h3-11,18,25H,1-2H3
InChIKeyWQYUZJYCGPAAHO-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.59
Rot. Bonds3

About [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol

[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol (PubChem CID 23154981) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
PubChem CID23154981
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
SMILESCc1ccc(C)n1-c1ccc(C(O)c2ccncc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O/c1-12-3-4-13(2)24(12)15-5-6-16(17(11-15)19(20,21)22)18(25)14-7-9-23-10-8-14/h3-11,18,25H,1-2H3
InChIKeyWQYUZJYCGPAAHO-UHFFFAOYSA-N
XLogP4.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol?
The IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol (CID 23154981) is [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol.
What is the SMILES notation for [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol?
The canonical SMILES for [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol is Cc1ccc(C)n1-c1ccc(C(O)c2ccncc2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol?
The InChIKey is WQYUZJYCGPAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-12-3-4-13(2)24(12)15-5-6-16(17(11-15)19(20,21)22)18(25)14-7-9-23-10-8-14/h3-11,18,25H,1-2H3.
What are the key properties of [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol?
[4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol has a molecular weight of 346.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrrol-1-yl)-2-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol is sourced from PubChem (CID 23154981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).