2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

C28H28N2O2Pt — CID 58401678

About 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)

2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (PubChem CID 58401678) has the molecular formula C28H28N2O2Pt and a molecular weight of 619.62 g/mol. Its IUPAC name is 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
• PubChem CID: 58401678
• Molecular Formula: C28H28N2O2Pt
• Molecular Weight: 619.62 g/mol
• Exact Mass: 619.18
• IUPAC Name: 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)
• SMILES: COc1ccnc(-c2[c-]c(C)ccc2C)c1.Cc1[c-]c(-c2cc(CO)ccn2)c(C)cc1.[Pt+2]
• InChI: InChI=1S/2C14H14NO.Pt/c1-10-4-5-11(2)13(8-10)14-9-12(16-3)6-7-15-14;1-10-3-4-11(2)13(7-10)14-8-12(9-16)5-6-15-14;/h4-7,9H,1-3H3;3-6,8,16H,9H2,1-2H3;/q2*-1;+2
• InChIKey: JVXJXAKBSAYBQO-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 55.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.62
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?

The IUPAC name of 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) (CID 58401678) is 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+).

What is the SMILES notation for 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?

The canonical SMILES for 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is COc1ccnc(-c2[c-]c(C)ccc2C)c1.Cc1[c-]c(-c2cc(CO)ccn2)c(C)cc1.[Pt+2].

What is the InChIKey of 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?

The InChIKey is JVXJXAKBSAYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14NO.Pt/c1-10-4-5-11(2)13(8-10)14-9-12(16-3)6-7-15-14;1-10-3-4-11(2)13(7-10)14-8-12(9-16)5-6-15-14;/h4-7,9H,1-3H3;3-6,8,16H,9H2,1-2H3;/q2*-1;+2.

What are the key properties of 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+)?

2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 619.62 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylbenzene-6-id-1-yl)-4-methoxypyridine;[2-(2,5-dimethylbenzene-6-id-1-yl)-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 58401678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).