6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine

C41H52Br5Cl3FN15O8+2 — CID 161451391

IUPAC6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine
SMILESCC(C)N.CC(C)Nc1c(N)cc(Br)nc1Cl.CC(C)Nc1c([N+](=O)[O-])cc(Br)nc1Cl.CC(C)Nc1c[n+](O)c(Br)cc1[N+](=O)[O-].CC(C)n1cnc2cc(Br)nc(Cl)c21.O=[N+]([O-])c1cc(Br)[n+](O)cc1F
InChIInChI=1S/C9H9BrClN3.C8H9BrClN3O2.C8H11BrClN3.C8H11BrN3O3.C5H3BrFN2O3.C3H9N/c1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14;1-4(2)11-7-5(13(14)15)3-6(9)12-8(7)10;1-4(2)12-7-5(11)3-6(9)13-8(7)10;1-5(2)10-6-4-11(13)8(9)3-7(6)12(14)15;6-5-1-4(9(11)12)3(7)2-8(5)10;1-3(2)4/h3-5H,1-2H3;3-4,11H,1-2H3;3-4,12H,1-2H3,(H2,11,13);3-5,10,13H,1-2H3;1-2,10H;3H,4H2,1-2H3/q;;;2*+1;
InChIKeyWAOOYZLPUXBZHJ-UHFFFAOYSA-N
MW1407.84 g/mol
LogP12.63
Rot. Bonds10

About 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine

6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine (PubChem CID 161451391) has the molecular formula C41H52Br5Cl3FN15O8+2 and a molecular weight of 1407.84 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine
PubChem CID161451391
Molecular FormulaC41H52Br5Cl3FN15O8+2
Molecular Weight1407.84 g/mol
Exact Mass1400.91
IUPAC Name6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine
SMILESCC(C)N.CC(C)Nc1c(N)cc(Br)nc1Cl.CC(C)Nc1c([N+](=O)[O-])cc(Br)nc1Cl.CC(C)Nc1c[n+](O)c(Br)cc1[N+](=O)[O-].CC(C)n1cnc2cc(Br)nc(Cl)c21.O=[N+]([O-])c1cc(Br)[n+](O)cc1F
InChIInChI=1S/C9H9BrClN3.C8H9BrClN3O2.C8H11BrClN3.C8H11BrN3O3.C5H3BrFN2O3.C3H9N/c1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14;1-4(2)11-7-5(13(14)15)3-6(9)12-8(7)10;1-4(2)12-7-5(11)3-6(9)13-8(7)10;1-5(2)10-6-4-11(13)8(9)3-7(6)12(14)15;6-5-1-4(9(11)12)3(7)2-8(5)10;1-3(2)4/h3-5H,1-2H3;3-4,11H,1-2H3;3-4,12H,1-2H3,(H2,11,13);3-5,10,13H,1-2H3;1-2,10H;3H,4H2,1-2H3/q;;;2*+1;
InChIKeyWAOOYZLPUXBZHJ-UHFFFAOYSA-N
XLogP12.63
TPSA322.26 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001407.84
LogP ≤ 512.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine with MolForge

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Related Compounds

6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine
CID 157490608
4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-4-methylimidazo[4,5-c]pyridine;N-(4-bromo-2-pyridinyl)-2-methyl-3-nitropyridin-4-amine;4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine;2-methyl-3-nitropyridin-4-amine;trimethoxymethane
CID 157525583
4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-4-methylimidazo[4,5-c]pyridine;bis(N-(4-bromo-2-pyridinyl)-2-methyl-3-nitropyridin-4-amine);2-methyl-3-nitropyridin-4-amine;trimethoxymethane
CID 157702804
6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;2-bromo-N-methyl-5-nitropyridin-4-amine;6-bromo-4-N-methylpyridine-3,4-diamine;carbononitridic bromide;2,4-dibromo-5-nitropyridine;methanamine;methane
CID 159470145
chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
CID 159890259
6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine
CID 161254258
4-Chloro-3-nitropyridine;methyl 4-aminopiperidine-1-carboxylate;methyl 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate;methyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 161569185

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine?
The IUPAC name of 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine (CID 161451391) is 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine.
What is the SMILES notation for 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine?
The canonical SMILES for 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine is CC(C)N.CC(C)Nc1c(N)cc(Br)nc1Cl.CC(C)Nc1c([N+](=O)[O-])cc(Br)nc1Cl.CC(C)Nc1c[n+](O)c(Br)cc1[N+](=O)[O-].CC(C)n1cnc2cc(Br)nc(Cl)c21.O=[N+]([O-])c1cc(Br)[n+](O)cc1F.
What is the InChIKey of 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine?
The InChIKey is WAOOYZLPUXBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3.C8H9BrClN3O2.C8H11BrClN3.C8H11BrN3O3.C5H3BrFN2O3.C3H9N/c1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14;1-4(2)11-7-5(13(14)15)3-6(9)12-8(7)10;1-4(2)12-7-5(11)3-6(9)13-8(7)10;1-5(2)10-6-4-11(13)8(9)3-7(6)12(14)15;6-5-1-4(9(11)12)3(7)2-8(5)10;1-3(2)4/h3-5H,1-2H3;3-4,11H,1-2H3;3-4,12H,1-2H3,(H2,11,13);3-5,10,13H,1-2H3;1-2,10H;3H,4H2,1-2H3/q;;;2*+1;.
What are the key properties of 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine?
6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine has a molecular weight of 1407.84 g/mol, XLogP of 12.63, 10 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine is sourced from PubChem (CID 161451391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).