1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C15H13F3NY- — CID 159111274

IUPAC1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccccc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H13F3N.Y/c1-10-7-8-14(12-5-3-4-6-13(12)16)19(11(10)2)9-15(17)18;/h3-7,15H,2,9H2,1H3;/q-1;
InChIKeyMRUPDPHCGINNKF-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.01
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159111274) has the molecular formula C15H13F3NY- and a molecular weight of 353.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159111274
Molecular FormulaC15H13F3NY-
Molecular Weight353.18 g/mol
Exact Mass353.01
IUPAC Name1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccccc2F)N1CC(F)F.[Y]
InChIInChI=1S/C15H13F3N.Y/c1-10-7-8-14(12-5-3-4-6-13(12)16)19(11(10)2)9-15(17)18;/h3-7,15H,2,9H2,1H3;/q-1;
InChIKeyMRUPDPHCGINNKF-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159111274) is 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2ccccc2F)N1CC(F)F.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is MRUPDPHCGINNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N.Y/c1-10-7-8-14(12-5-3-4-6-13(12)16)19(11(10)2)9-15(17)18;/h3-7,15H,2,9H2,1H3;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 353.18 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159111274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).