1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum

C18H19F2N2O2Pt- — CID 58401729

About 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum

1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401729) has the molecular formula C18H19F2N2O2Pt- and a molecular weight of 528.44 g/mol. Its IUPAC name is 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

• Compound Name: 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum
• PubChem CID: 58401729
• Molecular Formula: C18H19F2N2O2Pt-
• Molecular Weight: 528.44 g/mol
• Exact Mass: 528.11
• IUPAC Name: 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum
• SMILES: CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]c(F)cc(F)c2)c1.[Pt]
• InChI: InChI=1S/C13H11F2N2.C5H8O2.Pt/c1-16-8-9-2-3-17-13(4-9)10-5-11(14)7-12(15)6-10;1-4(6)3-5(2)7;/h2-5,7,16H,8H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: KIGNGPZKFDUJDC-LWFKIUJUSA-N
• XLogP: 3.58
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.44
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
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 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The IUPAC name of 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 58401729) is 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum.

What is the SMILES notation for 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The canonical SMILES for 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.CNCc1ccnc(-c2[c-]c(F)cc(F)c2)c1.[Pt].

What is the InChIKey of 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum?

The InChIKey is KIGNGPZKFDUJDC-LWFKIUJUSA-N. The full InChI is InChI=1S/C13H11F2N2.C5H8O2.Pt/c1-16-8-9-2-3-17-13(4-9)10-5-11(14)7-12(15)6-10;1-4(6)3-5(2)7;/h2-5,7,16H,8H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum?

1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 528.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).