5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine

C23H23Br4N13O4 — CID 160543361

IUPAC5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine
SMILESCNc1ncc(Br)cc1N.CNc1ncc(Br)cc1[N+](=O)[O-].Cn1nnc2cc(Br)cnc21.Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN4.C6H6BrN3O2.C6H8BrN3.C5H4BrN3O2/c1-11-6-5(9-10-11)2-4(7)3-8-6;1-8-6-5(10(11)12)2-4(7)3-9-6;1-9-6-5(8)2-4(7)3-10-6;6-3-1-4(9(10)11)5(7)8-2-3/h2-3H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H,(H2,7,8)
InChIKeyQXBYKVKPLFBJAR-UHFFFAOYSA-N
MW865.14 g/mol
LogP5.72
Rot. Bonds4

About 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine

5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine (PubChem CID 160543361) has the molecular formula C23H23Br4N13O4 and a molecular weight of 865.14 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine
PubChem CID160543361
Molecular FormulaC23H23Br4N13O4
Molecular Weight865.14 g/mol
Exact Mass860.87
IUPAC Name5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine
SMILESCNc1ncc(Br)cc1N.CNc1ncc(Br)cc1[N+](=O)[O-].Cn1nnc2cc(Br)cnc21.Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN4.C6H6BrN3O2.C6H8BrN3.C5H4BrN3O2/c1-11-6-5(9-10-11)2-4(7)3-8-6;1-8-6-5(10(11)12)2-4(7)3-9-6;1-9-6-5(8)2-4(7)3-10-6;6-3-1-4(9(10)11)5(7)8-2-3/h2-3H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H,(H2,7,8)
InChIKeyQXBYKVKPLFBJAR-UHFFFAOYSA-N
XLogP5.72
TPSA244.65 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.14
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

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
6-(benzotriazol-1-yl)-N-(5-bromo-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22531401
3-bromo-5-nitro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine
CID 71905749
5-bromo-3-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-amine
CID 84587545
3-bromo-N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propyl]-5-nitropyridin-2-amine
CID 100758495
5-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 101183871
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyridin-2-amine
CID 133269818
3-bromo-5-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
CID 133374494
5-bromo-3-nitro-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridin-2-amine
CID 133374608
3-bromo-5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439882
5-bromo-3-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439883
3-bromo-5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-4-amine
CID 133440137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine (CID 160543361) is 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine is CNc1ncc(Br)cc1N.CNc1ncc(Br)cc1[N+](=O)[O-].Cn1nnc2cc(Br)cnc21.Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine?
The InChIKey is QXBYKVKPLFBJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4.C6H6BrN3O2.C6H8BrN3.C5H4BrN3O2/c1-11-6-5(9-10-11)2-4(7)3-8-6;1-8-6-5(10(11)12)2-4(7)3-9-6;1-9-6-5(8)2-4(7)3-10-6;6-3-1-4(9(10)11)5(7)8-2-3/h2-3H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H,(H2,7,8).
What are the key properties of 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine?
5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine has a molecular weight of 865.14 g/mol, XLogP of 5.72, 4 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-3-methyltriazolo[4,5-b]pyridine;5-bromo-3-nitropyridin-2-amine is sourced from PubChem (CID 160543361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).