1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium

C18H19F2INO2Y- — CID 160772540

About 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium

1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 160772540) has the molecular formula C18H19F2INO2Y- and a molecular weight of 535.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
• PubChem CID: 160772540
• Molecular Formula: C18H19F2INO2Y-
• Molecular Weight: 535.16 g/mol
• Exact Mass: 534.95
• IUPAC Name: 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
• SMILES: C=C1C(I)=C[C-]=C(c2ccc(OCCCOC)cc2)N1CC(F)F.[Y]
• InChI: InChI=1S/C18H19F2INO2.Y/c1-13-16(21)8-9-17(22(13)12-18(19)20)14-4-6-15(7-5-14)24-11-3-10-23-2;/h4-8,18H,1,3,10-12H2,2H3;/q-1
• InChIKey: VDMOHRNVWREXQH-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.16
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?

The IUPAC name of 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium (CID 160772540) is 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium.

What is the SMILES notation for 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?

The canonical SMILES for 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(I)=C[C-]=C(c2ccc(OCCCOC)cc2)N1CC(F)F.[Y].

What is the InChIKey of 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?

The InChIKey is VDMOHRNVWREXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2INO2.Y/c1-13-16(21)8-9-17(22(13)12-18(19)20)14-4-6-15(7-5-14)24-11-3-10-23-2;/h4-8,18H,1,3,10-12H2,2H3;/q-1;.

What are the key properties of 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?

1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 535.16 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 160772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).