2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C48H65BBr3ClN14O14S4 — CID 158817058

IUPAC2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESC1CCOC1.CC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCO.CS(=O)(=O)c1cc(Br)cnc1N.NNS(=O)(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H19BN2O3.C13H14N4O3S.C6H7BrN2O2S.C5H4BrClN2O2S.C5H7BrN4O2S.C4H8O.C2H6O/c1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10;1-12(10,11)5-2-4(7)3-9-6(5)8;6-3-1-4(12(7,10)11)5(8)9-2-3;6-3-1-4(5(7)9-2-3)13(11,12)10-8;1-2-4-5-3-1;1-2-3/h6-8H,1-5H3,(H,15,16,17);3-7H,1-2H3,(H2,14,16)(H,15,17,18);2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);1-2,10H,8H2,(H2,7,9);1-4H2;3H,2H2,1H3
InChIKeyIVJZZUNKDSSWOJ-UHFFFAOYSA-N
MW1476.38 g/mol
LogP4.98
Rot. Bonds9

About 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158817058) has the molecular formula C48H65BBr3ClN14O14S4 and a molecular weight of 1476.38 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
PubChem CID158817058
Molecular FormulaC48H65BBr3ClN14O14S4
Molecular Weight1476.38 g/mol
Exact Mass1472.10
IUPAC Name2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESC1CCOC1.CC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCO.CS(=O)(=O)c1cc(Br)cnc1N.NNS(=O)(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H19BN2O3.C13H14N4O3S.C6H7BrN2O2S.C5H4BrClN2O2S.C5H7BrN4O2S.C4H8O.C2H6O/c1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10;1-12(10,11)5-2-4(7)3-9-6(5)8;6-3-1-4(12(7,10)11)5(8)9-2-3;6-3-1-4(5(7)9-2-3)13(11,12)10-8;1-2-4-5-3-1;1-2-3/h6-8H,1-5H3,(H,15,16,17);3-7H,1-2H3,(H2,14,16)(H,15,17,18);2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);1-2,10H,8H2,(H2,7,9);1-4H2;3H,2H2,1H3
InChIKeyIVJZZUNKDSSWOJ-UHFFFAOYSA-N
XLogP4.98
TPSA462.15 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.38
LogP ≤ 54.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

3-bromo-1-hydroxy-5-methylsulfonylpyridin-1-ium;3-bromo-5-methylsulfonylpyridine;methane;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 157419019
2-amino-5-bromo-N,N-dimethylpyridine-3-sulfonamide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 157898640
dipotassium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;5-bromo-3-(methylsulfonylmethyl)pyridin-2-amine;5-bromopyridine-2,3-diamine;hydride;methanesulfonyl chloride;oxido formate;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 158411618
5-bromo-3-(cyclopropylsulfonylmethyl)-2-methylpyridine;5-bromo-2-methylpyridin-3-amine;N-(5-bromo-2-methyl-3-pyridinyl)-N-methylcyclopropanesulfonamide;cyclopropanesulfonyl chloride;N-[4-[5-[cyclopropylsulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 159080083
3-bromo-1-hydroxy-5-methylsulfonylpyridin-1-ium;3-bromo-5-methylsulfonylpyridine;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 159375324
3-bromo-7H-cyclopenta[b]pyridine;3-bromo-7H-cyclopenta[b]pyridine-5-sulfonyl chloride;3-bromo-N,N-dimethyl-7H-cyclopenta[b]pyridine-5-sulfonamide;N-[4-[5-(dimethylsulfamoyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 160173177
5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 160888912
dipotassium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;5-bromo-3-(methylsulfonylmethyl)pyridin-2-amine;5-bromopyridine-2,3-diamine;hydride;methane;methanesulfonyl chloride;oxido formate;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 161589964

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158817058) is 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is C1CCOC1.CC(=O)Nc1cc(-c2cnc(N)c(S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCO.CS(=O)(=O)c1cc(Br)cnc1N.NNS(=O)(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The InChIKey is IVJZZUNKDSSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BN2O3.C13H14N4O3S.C6H7BrN2O2S.C5H4BrClN2O2S.C5H7BrN4O2S.C4H8O.C2H6O/c1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8(18)17-12-6-9(3-4-15-12)10-5-11(21(2,19)20)13(14)16-7-10;1-12(10,11)5-2-4(7)3-9-6(5)8;6-3-1-4(12(7,10)11)5(8)9-2-3;6-3-1-4(5(7)9-2-3)13(11,12)10-8;1-2-4-5-3-1;1-2-3/h6-8H,1-5H3,(H,15,16,17);3-7H,1-2H3,(H2,14,16)(H,15,17,18);2-3H,1H3,(H2,8,9);1-2H,(H2,8,9);1-2,10H,8H2,(H2,7,9);1-4H2;3H,2H2,1H3.
What are the key properties of 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1476.38 g/mol, XLogP of 4.98, 9 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-sulfonohydrazide;2-amino-5-bromopyridine-3-sulfonyl chloride;N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-3-methylsulfonylpyridin-2-amine;ethanol;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158817058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).