2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C15H14F2NOY- — CID 159506707

IUPAC2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1C.[Y]
InChIInChI=1S/C15H14F2NO.Y/c1-11-4-3-5-14(18(11)2)12-6-8-13(9-7-12)19-10-15(16)17;/h3-4,6-9,15H,1,10H2,2H3;/q-1;
InChIKeyCHIAQONLVJJCAG-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159506707) has the molecular formula C15H14F2NOY- and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159506707
Molecular FormulaC15H14F2NOY-
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1C.[Y]
InChIInChI=1S/C15H14F2NO.Y/c1-11-4-3-5-14(18(11)2)12-6-8-13(9-7-12)19-10-15(16)17;/h3-4,6-9,15H,1,10H2,2H3;/q-1;
InChIKeyCHIAQONLVJJCAG-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
1-(2,2-difluoroethyl)-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 160616384
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 160922763
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629
5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 161280183
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159506707) is 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C=C[C-]=C(c2ccc(OCC(F)F)cc2)N1C.[Y].
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is CHIAQONLVJJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2NO.Y/c1-11-4-3-5-14(18(11)2)12-6-8-13(9-7-12)19-10-15(16)17;/h3-4,6-9,15H,1,10H2,2H3;/q-1;.
What are the key properties of 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 351.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159506707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).