4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)

C82H98Cl3IN12O5P2PdSn — CID 158921346

About 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)

4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) (PubChem CID 158921346) has the molecular formula C82H98Cl3IN12O5P2PdSn and a molecular weight of 1852.11 g/mol. Its IUPAC name is 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
• PubChem CID: 158921346
• Molecular Formula: C82H98Cl3IN12O5P2PdSn
• Molecular Weight: 1852.11 g/mol
• Exact Mass: 1850.34
• IUPAC Name: 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
• SMILES: C.C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CI.CO.Cl[Pd]Cl.Nc1nccc(-c2ccccn2)c1N.Nc1nccc(-c2ccccn2)c1[N+](=O)[O-].Nc1nccc(Cl)c1[N+](=O)[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C10H8N4O2.C10H10N4.C5H4ClN3O2.C5H4N.3C4H9.CH3I.CH4O.2CH4.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-9(14(15)16)7(4-6-13-10)8-3-1-2-5-12-8;11-9-7(4-6-14-10(9)12)8-3-1-2-5-13-8;6-3-1-2-8-5(7)4(3)9(10)11;1-2-4-6-5-3-1;3*1-3-4-2;2*1-2;;;;;;/h2*1-15H;1-6H,(H2,11,13);1-6H,11H2,(H2,12,14);1-2H,(H2,7,8);1-4H;3*1,3-4H2,2H3;1H3;2H,1H3;2*1H4;2*1H;;/q;;;;;;;;;;;;;;;+2;/p-2
• InChIKey: JHWJTDAVMLKFLP-UHFFFAOYSA-L
• XLogP: 19.50
• TPSA: 287.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.11
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) (CID 158921346) is 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane).

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

The canonical SMILES for 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) is C.C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CI.CO.Cl[Pd]Cl.Nc1nccc(-c2ccccn2)c1N.Nc1nccc(-c2ccccn2)c1[N+](=O)[O-].Nc1nccc(Cl)c1[N+](=O)[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

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

The InChIKey is JHWJTDAVMLKFLP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C10H8N4O2.C10H10N4.C5H4ClN3O2.C5H4N.3C4H9.CH3I.CH4O.2CH4.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-9(14(15)16)7(4-6-13-10)8-3-1-2-5-12-8;11-9-7(4-6-14-10(9)12)8-3-1-2-5-13-8;6-3-1-2-8-5(7)4(3)9(10)11;1-2-4-6-5-3-1;3*1-3-4-2;2*1-2;;;;;;/h2*1-15H;1-6H,(H2,11,13);1-6H,11H2,(H2,12,14);1-2H,(H2,7,8);1-4H;3*1,3-4H2,2H3;1H3;2H,1H3;2*1H4;2*1H;;/q;;;;;;;;;;;;;;;+2;/p-2.

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

4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) has a molecular weight of 1852.11 g/mol, XLogP of 19.50, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-nitropyridin-2-amine;dichloropalladium;iodomethane;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane) is sourced from PubChem (CID 158921346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).