2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane

C46H64ClI3N12O5Sn — CID 158610196

About 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane

2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane (PubChem CID 158610196) has the molecular formula C46H64ClI3N12O5Sn and a molecular weight of 1399.97 g/mol. Its IUPAC name is 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane.

Molecular Properties

• Compound Name: 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane
• PubChem CID: 158610196
• Molecular Formula: C46H64ClI3N12O5Sn
• Molecular Weight: 1399.97 g/mol
• Exact Mass: 1400.10
• IUPAC Name: 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane
• SMILES: C.CC(I)(I)I.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CO.Nc1ccnc(-c2ccccn2)c1N.Nc1ccnc(-c2ccccn2)c1[N+](=O)[O-].Nc1ccnc(Cl)c1[N+](=O)[O-]
• InChI: InChI=1S/C10H8N4O2.C10H10N4.C5H4ClN3O2.C5H4N.3C4H9.C2H3I3.CH4O.CH4.Sn/c11-7-4-6-13-9(10(7)14(15)16)8-3-1-2-5-12-8;11-7-4-6-14-10(9(7)12)8-3-1-2-5-13-8;6-5-4(9(10)11)3(7)1-2-8-5;1-2-4-6-5-3-1;3*1-3-4-2;1-2(3,4)5;1-2;;/h1-6H,(H2,11,13);1-6H,12H2,(H2,11,14);1-2H,(H2,7,8);1-4H;3*1,3-4H2,2H3;1H3;2H,1H3;1H4
• InChIKey: HWSYJIHGDNTFPX-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 287.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.97
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane?

The IUPAC name of 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane (CID 158610196) is 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane.

What is the SMILES notation for 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane?

The canonical SMILES for 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane is C.CC(I)(I)I.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CO.Nc1ccnc(-c2ccccn2)c1N.Nc1ccnc(-c2ccccn2)c1[N+](=O)[O-].Nc1ccnc(Cl)c1[N+](=O)[O-].

What is the InChIKey of 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane?

The InChIKey is HWSYJIHGDNTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2.C10H10N4.C5H4ClN3O2.C5H4N.3C4H9.C2H3I3.CH4O.CH4.Sn/c11-7-4-6-13-9(10(7)14(15)16)8-3-1-2-5-12-8;11-7-4-6-14-10(9(7)12)8-3-1-2-5-13-8;6-5-4(9(10)11)3(7)1-2-8-5;1-2-4-6-5-3-1;3*1-3-4-2;1-2(3,4)5;1-2;;/h1-6H,(H2,11,13);1-6H,12H2,(H2,11,14);1-2H,(H2,7,8);1-4H;3*1,3-4H2,2H3;1H3;2H,1H3;1H4;.

What are the key properties of 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane?

2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane has a molecular weight of 1399.97 g/mol, XLogP of 12.51, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-nitropyridin-4-amine;methane;methanol;3-nitro-2-pyridin-2-ylpyridin-4-amine;2-pyridin-2-ylpyridine-3,4-diamine;tributyl(pyridin-2-yl)stannane;1,1,1-triiodoethane is sourced from PubChem (CID 158610196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).