2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide

C6H5BrF2N2O3S — CID 118995756

IUPAC2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(Br)ncc(O)c1C(F)F
InChIInChI=1S/C6H5BrF2N2O3S/c7-5-4(15(10,13)14)3(6(8)9)2(12)1-11-5/h1,6,12H,(H2,10,13,14)
InChIKeyCCGBLBVUMZQRNN-UHFFFAOYSA-N
MW303.08 g/mol
LogP1.13
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide

2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide (PubChem CID 118995756) has the molecular formula C6H5BrF2N2O3S and a molecular weight of 303.08 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
PubChem CID118995756
Molecular FormulaC6H5BrF2N2O3S
Molecular Weight303.08 g/mol
Exact Mass301.92
IUPAC Name2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(Br)ncc(O)c1C(F)F
InChIInChI=1S/C6H5BrF2N2O3S/c7-5-4(15(10,13)14)3(6(8)9)2(12)1-11-5/h1,6,12H,(H2,10,13,14)
InChIKeyCCGBLBVUMZQRNN-UHFFFAOYSA-N
XLogP1.13
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(difluoromethyl)pyridine-3,5-diol
CID 118999212
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119001281
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
CID 119007028
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide (CID 118995756) is 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide is NS(=O)(=O)c1c(Br)ncc(O)c1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide?
The InChIKey is CCGBLBVUMZQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O3S/c7-5-4(15(10,13)14)3(6(8)9)2(12)1-11-5/h1,6,12H,(H2,10,13,14).
What are the key properties of 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide?
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide has a molecular weight of 303.08 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide is sourced from PubChem (CID 118995756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).