6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate

C10H14Br2Cl2N6O4Sn — CID 161110576

IUPAC6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate
SMILESCl[Sn]Cl.Nc1ccc(Br)nc1N.Nc1nc(Br)ccc1[N+](=O)[O-].O.O
InChIInChI=1S/C5H4BrN3O2.C5H6BrN3.2ClH.2H2O.Sn/c6-4-2-1-3(9(10)11)5(7)8-4;6-4-2-1-3(7)5(8)9-4;;;;;/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9);2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyAJJTVTOERIEKMN-UHFFFAOYSA-L
MW631.69 g/mol
LogP1.69
Rot. Bonds1

About 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate

6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate (PubChem CID 161110576) has the molecular formula C10H14Br2Cl2N6O4Sn and a molecular weight of 631.69 g/mol. Its IUPAC name is 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate.

Molecular Properties

Compound Name6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate
PubChem CID161110576
Molecular FormulaC10H14Br2Cl2N6O4Sn
Molecular Weight631.69 g/mol
Exact Mass629.78
IUPAC Name6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate
SMILESCl[Sn]Cl.Nc1ccc(Br)nc1N.Nc1nc(Br)ccc1[N+](=O)[O-].O.O
InChIInChI=1S/C5H4BrN3O2.C5H6BrN3.2ClH.2H2O.Sn/c6-4-2-1-3(9(10)11)5(7)8-4;6-4-2-1-3(7)5(8)9-4;;;;;/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9);2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyAJJTVTOERIEKMN-UHFFFAOYSA-L
XLogP1.69
TPSA209.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.69
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-6-(trideuteriomethoxy)pyridin-2-amine;6-(trideuteriomethoxy)pyridine-2,3-diamine
CID 161242232
6-bromo-2-fluoro-3-nitropyridine
CID 119085951
CID 157299402
CID 157299402
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
7-nitro-3H-benzimidazole-2,4-diamine
CID 137243204
6-bromo-3-nitro-2-(trifluoromethylsulfanyl)pyridine
CID 133097947
methyl (2R)-2-[(6-bromo-3-nitro-2-pyridinyl)amino]propanoate
CID 149218444
5-bromo-2-nitroaniline;methane
CID 139511978
6-chloro-5-nitropyridin-2-amine
CID 3069277
6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
CID 79827977
6-bromo-3-nitro-2-phenoxypyridine
CID 58390516
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
CID 158471946

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate?
The IUPAC name of 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate (CID 161110576) is 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate.
What is the SMILES notation for 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate?
The canonical SMILES for 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate is Cl[Sn]Cl.Nc1ccc(Br)nc1N.Nc1nc(Br)ccc1[N+](=O)[O-].O.O.
What is the InChIKey of 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate?
The InChIKey is AJJTVTOERIEKMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H4BrN3O2.C5H6BrN3.2ClH.2H2O.Sn/c6-4-2-1-3(9(10)11)5(7)8-4;6-4-2-1-3(7)5(8)9-4;;;;;/h1-2H,(H2,7,8);1-2H,7H2,(H2,8,9);2*1H;2*1H2;/q;;;;;;+2/p-2.
What are the key properties of 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate?
6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate has a molecular weight of 631.69 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-nitropyridin-2-amine;6-bromopyridine-2,3-diamine;dichlorotin;dihydrate is sourced from PubChem (CID 161110576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).