5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol

C7H6BrF2NO — CID 130097039

IUPAC5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(C(F)F)c(CBr)c1
InChIInChI=1S/C7H6BrF2NO/c8-2-4-1-5(12)3-11-6(4)7(9)10/h1,3,7,12H,2H2
InChIKeyAEMPXPLWYBXLHM-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.62
Rot. Bonds2

About 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol

5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol (PubChem CID 130097039) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
PubChem CID130097039
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(C(F)F)c(CBr)c1
InChIInChI=1S/C7H6BrF2NO/c8-2-4-1-5(12)3-11-6(4)7(9)10/h1,3,7,12H,2H2
InChIKeyAEMPXPLWYBXLHM-UHFFFAOYSA-N
XLogP2.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.62
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

3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
2-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118848760
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110213
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098302
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
2-(difluoromethyl)-5-(hydroxymethyl)pyridin-3-ol
CID 118820519

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol (CID 130097039) is 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol is Oc1cnc(C(F)F)c(CBr)c1.
What is the InChIKey of 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol?
The InChIKey is AEMPXPLWYBXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c8-2-4-1-5(12)3-11-6(4)7(9)10/h1,3,7,12H,2H2.
What are the key properties of 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol?
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol has a molecular weight of 238.03 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130097039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).