4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride

C7H3BrClF2NO2 — CID 130110583

IUPAC4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)ncc(O)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-2(13)1-12-5(7(10)11)3(4)6(9)14/h1,7,13H
InChIKeyQMKIIYTVMGXMRO-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.87
Rot. Bonds2

About 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride

4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride (PubChem CID 130110583) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
PubChem CID130110583
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)ncc(O)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-2(13)1-12-5(7(10)11)3(4)6(9)14/h1,7,13H
InChIKeyQMKIIYTVMGXMRO-UHFFFAOYSA-N
XLogP2.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
2-(difluoromethyl)-5-hydroxy-4-methylpyridine-3-carboxamide
CID 118826495
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
2-(difluoromethyl)-3-fluoro-5-hydroxypyridine-4-carboxamide
CID 118808984

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The IUPAC name of 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride (CID 130110583) is 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)ncc(O)c1Br.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
The InChIKey is QMKIIYTVMGXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-4-2(13)1-12-5(7(10)11)3(4)6(9)14/h1,7,13H.
What are the key properties of 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride?
4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride has a molecular weight of 286.46 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride is sourced from PubChem (CID 130110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).