2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum

C19H20F2NO3Pt- — CID 58401271

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum

2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401271) has the molecular formula C19H20F2NO3Pt- and a molecular weight of 543.45 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
• PubChem CID: 58401271
• Molecular Formula: C19H20F2NO3Pt-
• Molecular Weight: 543.45 g/mol
• Exact Mass: 543.11
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
• SMILES: CC(=O)/C=C(/C)O.CC(C)Oc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt]
• InChI: InChI=1S/C14H12F2NO.C5H8O2.Pt/c1-9(2)18-11-5-6-17-14(8-11)12-4-3-10(15)7-13(12)16;1-4(6)3-5(2)7;/h3,5-9H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: QGNUVDVJHCNRRX-LWFKIUJUSA-N
• XLogP: 4.65
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.45
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 58401271) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.CC(C)Oc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The InChIKey is QGNUVDVJHCNRRX-LWFKIUJUSA-N. The full InChI is InChI=1S/C14H12F2NO.C5H8O2.Pt/c1-9(2)18-11-5-6-17-14(8-11)12-4-3-10(15)7-13(12)16;1-4(6)3-5(2)7;/h3,5-9H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum?

2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 543.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).