6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol

C8H8BrF2NO — CID 130083686

IUPAC6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
SMILESCc1c(CBr)ncc(O)c1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-5(2-9)12-3-6(13)7(4)8(10)11/h3,8,13H,2H2,1H3
InChIKeyJHTOMLDTUMJPET-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.93
Rot. Bonds2

About 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol

6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol (PubChem CID 130083686) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
PubChem CID130083686
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
SMILESCc1c(CBr)ncc(O)c1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-5(2-9)12-3-6(13)7(4)8(10)11/h3,8,13H,2H2,1H3
InChIKeyJHTOMLDTUMJPET-UHFFFAOYSA-N
XLogP2.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.93
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

6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
6-chloro-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 119014799
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
6-(aminomethyl)-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 118825681
2-bromo-4-(difluoromethyl)pyridine-3,5-diol
CID 118999212
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol (CID 130083686) is 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol is Cc1c(CBr)ncc(O)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol?
The InChIKey is JHTOMLDTUMJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(2-9)12-3-6(13)7(4)8(10)11/h3,8,13H,2H2,1H3.
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol?
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol has a molecular weight of 252.06 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol is sourced from PubChem (CID 130083686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).