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

C8H8BrF2NO — CID 130083707

IUPAC5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
SMILESCc1ncc(O)c(C(F)F)c1CBr
InChIInChI=1S/C8H8BrF2NO/c1-4-5(2-9)7(8(10)11)6(13)3-12-4/h3,8,13H,2H2,1H3
InChIKeyVJLLWHUSGQQUDU-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.93
Rot. Bonds2

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

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol (PubChem CID 130083707) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
PubChem CID130083707
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
SMILESCc1ncc(O)c(C(F)F)c1CBr
InChIInChI=1S/C8H8BrF2NO/c1-4-5(2-9)7(8(10)11)6(13)3-12-4/h3,8,13H,2H2,1H3
InChIKeyVJLLWHUSGQQUDU-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

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 130078238
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
CID 130084011
6-chloro-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 119014799
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol (CID 130083707) is 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol is Cc1ncc(O)c(C(F)F)c1CBr.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol?
The InChIKey is VJLLWHUSGQQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(2-9)7(8(10)11)6(13)3-12-4/h3,8,13H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol?
5-(bromomethyl)-4-(difluoromethyl)-6-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 5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol is sourced from PubChem (CID 130083707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).