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

C7H3BrClF2NO2 — CID 130110573

IUPAC3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(O)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-3(7(10)11)2(13)1-12-5(4)6(9)14/h1,7,13H
InChIKeyWTBPFBAYOOTPHI-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.87
Rot. Bonds2

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

3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride (PubChem CID 130110573) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
PubChem CID130110573
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(O)c(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-3(7(10)11)2(13)1-12-5(4)6(9)14/h1,7,13H
InChIKeyWTBPFBAYOOTPHI-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-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 130110583
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825
2-bromo-4-(difluoromethyl)pyridine-3,5-diol
CID 118999212
4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133102250

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride?
The IUPAC name of 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride (CID 130110573) is 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride is O=C(Cl)c1ncc(O)c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride?
The InChIKey is WTBPFBAYOOTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-4-3(7(10)11)2(13)1-12-5(4)6(9)14/h1,7,13H.
What are the key properties of 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride?
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-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 3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride is sourced from PubChem (CID 130110573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).