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

C19H13BrF3NO — CID 56672639

IUPAC(4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H13BrF3NO/c20-17-9-7-14(8-10-17)18(25,16-2-1-11-24-12-16)13-3-5-15(6-4-13)19(21,22)23/h1-12,25H
InChIKeyZGOBARMXVAVOQL-UHFFFAOYSA-N
MW408.22 g/mol
LogP5.15
Rot. Bonds3

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

(4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56672639) has the molecular formula C19H13BrF3NO and a molecular weight of 408.22 g/mol. Its IUPAC name is (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56672639
Molecular FormulaC19H13BrF3NO
Molecular Weight408.22 g/mol
Exact Mass407.01
IUPAC Name(4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H13BrF3NO/c20-17-9-7-14(8-10-17)18(25,16-2-1-11-24-12-16)13-3-5-15(6-4-13)19(21,22)23/h1-12,25H
InChIKeyZGOBARMXVAVOQL-UHFFFAOYSA-N
XLogP5.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.22
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56672639) is (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Br)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZGOBARMXVAVOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3NO/c20-17-9-7-14(8-10-17)18(25,16-2-1-11-24-12-16)13-3-5-15(6-4-13)19(21,22)23/h1-12,25H.
What are the key properties of (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
(4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 408.22 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56672639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).