5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C18H18NO2Y- — CID 158289970

IUPAC5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CC1=C[C-]=C(c2ccc(OCCOC)cc2)N(C)C1=C.[Y]
InChIInChI=1S/C18H18NO2.Y/c1-5-15-8-11-18(19(3)14(15)2)16-6-9-17(10-7-16)21-13-12-20-4;/h1,6-10H,2,12-13H2,3-4H3;/q-1;
InChIKeyIGFXZBBTOKILTF-UHFFFAOYSA-N
MW369.25 g/mol
LogP2.87
Rot. Bonds5

About 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 158289970) has the molecular formula C18H18NO2Y- and a molecular weight of 369.25 g/mol. Its IUPAC name is 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID158289970
Molecular FormulaC18H18NO2Y-
Molecular Weight369.25 g/mol
Exact Mass369.04
IUPAC Name5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CC1=C[C-]=C(c2ccc(OCCOC)cc2)N(C)C1=C.[Y]
InChIInChI=1S/C18H18NO2.Y/c1-5-15-8-11-18(19(3)14(15)2)16-6-9-17(10-7-16)21-13-12-20-4;/h1,6-10H,2,12-13H2,3-4H3;/q-1;
InChIKeyIGFXZBBTOKILTF-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629
1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 158644812
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
CID 158723879
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
CID 79485113

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 158289970) is 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C#CC1=C[C-]=C(c2ccc(OCCOC)cc2)N(C)C1=C.[Y].
What is the InChIKey of 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is IGFXZBBTOKILTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO2.Y/c1-5-15-8-11-18(19(3)14(15)2)16-6-9-17(10-7-16)21-13-12-20-4;/h1,6-10H,2,12-13H2,3-4H3;/q-1;.
What are the key properties of 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 369.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 158289970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).