1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

C15H13BrF3NO — CID 104800255

IUPAC1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1cncc(Br)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO/c16-13-5-11(8-20-9-13)7-14(21)6-10-2-1-3-12(4-10)15(17,18)19/h1-5,8-9,14,21H,6-7H2
InChIKeyCSLKEETWEOYRTI-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.01
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 104800255) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID104800255
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1cncc(Br)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO/c16-13-5-11(8-20-9-13)7-14(21)6-10-2-1-3-12(4-10)15(17,18)19/h1-5,8-9,14,21H,6-7H2
InChIKeyCSLKEETWEOYRTI-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
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CID 115833331
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 104800255) is 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1cncc(Br)c1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is CSLKEETWEOYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-13-5-11(8-20-9-13)7-14(21)6-10-2-1-3-12(4-10)15(17,18)19/h1-5,8-9,14,21H,6-7H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 360.17 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 104800255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).