2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide

C7H6Br2F3NO — CID 133062446

IUPAC2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide
SMILESBr.Oc1cc(C(F)(F)F)cnc1CBr
InChIInChI=1S/C7H5BrF3NO.BrH/c8-2-5-6(13)1-4(3-12-5)7(9,10)11;/h1,3,13H,2H2;1H
InChIKeyOLHFMOUUTINTRI-UHFFFAOYSA-N
MW336.93 g/mol
LogP3.28
Rot. Bonds1

About 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide

2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide (PubChem CID 133062446) has the molecular formula C7H6Br2F3NO and a molecular weight of 336.93 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide.

Molecular Properties

Compound Name2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide
PubChem CID133062446
Molecular FormulaC7H6Br2F3NO
Molecular Weight336.93 g/mol
Exact Mass334.88
IUPAC Name2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide
SMILESBr.Oc1cc(C(F)(F)F)cnc1CBr
InChIInChI=1S/C7H5BrF3NO.BrH/c8-2-5-6(13)1-4(3-12-5)7(9,10)11;/h1,3,13H,2H2;1H
InChIKeyOLHFMOUUTINTRI-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-hydroxypyridine
CID 14275
2-Methylpyridin-3-ol
CID 70719
3-Hydroxy-5-methylpyridine
CID 224753
4,6-Dimethyl-3-Hydroxypyridine
CID 15047367
3-Bromo-5-hydroxypyridine
CID 599529
2,5-Dimethylpyridin-3-ol
CID 10240805
5,6-Dimethylpyridin-3-ol
CID 10464346
2-Bromomethyl-3-hydroxypyridine hydrobromide
CID 2827821
5-Bromo-2-methylpyridin-3-ol
CID 13227968
4,5-Bis(bromomethyl)-2-methylpyridin-3-ol
CID 241453
2,4-Dimethyl-3-hydroxypyridine
CID 15047366
3-Fluoro-5-hydroxypyridine
CID 2762906

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide?
The IUPAC name of 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide (CID 133062446) is 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide.
What is the SMILES notation for 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide?
The canonical SMILES for 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide is Br.Oc1cc(C(F)(F)F)cnc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide?
The InChIKey is OLHFMOUUTINTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO.BrH/c8-2-5-6(13)1-4(3-12-5)7(9,10)11;/h1,3,13H,2H2;1H.
What are the key properties of 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide?
2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide has a molecular weight of 336.93 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide is sourced from PubChem (CID 133062446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).