2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium

C14H12F2NY- — CID 161041574

IUPAC2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2c(F)cccc2F)N1C.[Y]
InChIInChI=1S/C14H12F2N.Y/c1-9-7-8-13(17(3)10(9)2)14-11(15)5-4-6-12(14)16;/h4-7H,2H2,1,3H3;/q-1;
InChIKeyYLQOOOHKRPEZGG-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.51
Rot. Bonds1

About 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 161041574) has the molecular formula C14H12F2NY- and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID161041574
Molecular FormulaC14H12F2NY-
Molecular Weight321.16 g/mol
Exact Mass321.00
IUPAC Name2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2c(F)cccc2F)N1C.[Y]
InChIInChI=1S/C14H12F2N.Y/c1-9-7-8-13(17(3)10(9)2)14-11(15)5-4-6-12(14)16;/h4-7H,2H2,1,3H3;/q-1;
InChIKeyYLQOOOHKRPEZGG-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.51
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 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 161041574) is 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2c(F)cccc2F)N1C.[Y].
What is the InChIKey of 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is YLQOOOHKRPEZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N.Y/c1-9-7-8-13(17(3)10(9)2)14-11(15)5-4-6-12(14)16;/h4-7H,2H2,1,3H3;/q-1;.
What are the key properties of 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 321.16 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 161041574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).