1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol

C7H5BrF3NO — CID 58335252

IUPAC1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESOC(c1cccc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-5-3-1-2-4(12-5)6(13)7(9,10)11/h1-3,6,13H
InChIKeyVJPDICWIBLOKKQ-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.44
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol

1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 58335252) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID58335252
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESOC(c1cccc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-5-3-1-2-4(12-5)6(13)7(9,10)11/h1-3,6,13H
InChIKeyVJPDICWIBLOKKQ-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-Bromopyridin-2-yl)methanol
CID 5200169
6-Methyl-2-pyridylmethanol
CID 70736
(6-Bromopyridin-2-yl)methanol
CID 3517811
2,6-Pyridinedimethanol
CID 70957
1-(6-(1-Hydroxy-ethyl)-pyridin-2-YL)-ethanol
CID 4363597
1-(6-Methylpyridin-2-yl)ethanol
CID 353138
6-(Bromomethyl)-2-pyridinemethanol
CID 10878213
[6-(Trifluoromethyl)pyridin-2-yl]methanol
CID 14761464
2,2,2-Trifluoro-1-(pyridin-2-yl)ethan-1-ol
CID 13742926
2-Bromo-6-(methoxymethyl)pyridine
CID 10943540
1-(6-Bromo-2-pyridinyl)ethanol
CID 11063479
(6-Fluoropyridin-2-yl)methanol
CID 12045263

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol (CID 58335252) is 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol is OC(c1cccc(Br)n1)C(F)(F)F.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is VJPDICWIBLOKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-3-1-2-4(12-5)6(13)7(9,10)11/h1-3,6,13H.
What are the key properties of 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol?
1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 256.02 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 58335252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).