[2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)

C28H28N2O6Pt — CID 58401269

About [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)

[2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+) (PubChem CID 58401269) has the molecular formula C28H28N2O6Pt and a molecular weight of 683.62 g/mol. Its IUPAC name is [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+).

Molecular Properties

• Compound Name: [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)
• PubChem CID: 58401269
• Molecular Formula: C28H28N2O6Pt
• Molecular Weight: 683.62 g/mol
• Exact Mass: 683.16
• IUPAC Name: [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)
• SMILES: COc1ccnc(-c2[c-]ccc(OC)c2OC)c1.OCc1ccnc(-c2[c-]ccc(CO)c2CO)c1.[Pt+2]
• InChI: InChI=1S/2C14H14NO3.Pt/c1-16-10-7-8-15-12(9-10)11-5-4-6-13(17-2)14(11)18-3;16-7-10-4-5-15-14(6-10)12-3-1-2-11(8-17)13(12)9-18;/h4,6-9H,1-3H3;1-2,4-6,16-18H,7-9H2;/q2*-1;+2
• InChIKey: HYEZCUHRPYJDKF-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 114.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	683.62
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)?

The IUPAC name of [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+) (CID 58401269) is [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+).

What is the SMILES notation for [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)?

The canonical SMILES for [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+) is COc1ccnc(-c2[c-]ccc(OC)c2OC)c1.OCc1ccnc(-c2[c-]ccc(CO)c2CO)c1.[Pt+2].

What is the InChIKey of [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)?

The InChIKey is HYEZCUHRPYJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14NO3.Pt/c1-16-10-7-8-15-12(9-10)11-5-4-6-13(17-2)14(11)18-3;16-7-10-4-5-15-14(6-10)12-3-1-2-11(8-17)13(12)9-18;/h4,6-9H,1-3H3;1-2,4-6,16-18H,7-9H2;/q2*-1;+2.

What are the key properties of [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+)?

[2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+) has a molecular weight of 683.62 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2,3-bis(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;platinum(2+) is sourced from PubChem (CID 58401269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).