(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol

C8H7BrF3NO — CID 155163973

IUPAC(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESO[C@@H](CBr)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H7BrF3NO/c9-4-6(14)5-2-1-3-7(13-5)8(10,11)12/h1-3,6,14H,4H2/t6-/m0/s1
InChIKeyKGZHYIIORROJGG-LURJTMIESA-N
MW270.05 g/mol
LogP2.53
Rot. Bonds2

About (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol

(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 155163973) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID155163973
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESO[C@@H](CBr)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H7BrF3NO/c9-4-6(14)5-2-1-3-7(13-5)8(10,11)12/h1-3,6,14H,4H2/t6-/m0/s1
InChIKeyKGZHYIIORROJGG-LURJTMIESA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

CID 70736
CID 70736
CID 3517811
CID 3517811
CID 70957
CID 70957
CID 4363597
CID 4363597
CID 353138
CID 353138
CID 155154344
CID 155154344
CID 10878213
CID 10878213
CID 14761464
CID 14761464
CID 13742926
CID 13742926
CID 184938
CID 184938
CID 184939
CID 184939
CID 11063479
CID 11063479

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol (CID 155163973) is (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol is O[C@@H](CBr)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is KGZHYIIORROJGG-LURJTMIESA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-4-6(14)5-2-1-3-7(13-5)8(10,11)12/h1-3,6,14H,4H2/t6-/m0/s1.
What are the key properties of (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
(1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 270.05 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 155163973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).