5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C15H15ClNOY- — CID 157409502

IUPAC5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y]
InChIInChI=1S/C15H15ClNO.Y/c1-4-18-13-7-5-12(6-8-13)15-10-9-14(16)11(2)17(15)3;/h5-9H,2,4H2,1,3H3;/q-1;
InChIKeyBYDIOPICNLDGFC-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 157409502) has the molecular formula C15H15ClNOY- and a molecular weight of 349.65 g/mol. Its IUPAC name is 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID157409502
Molecular FormulaC15H15ClNOY-
Molecular Weight349.65 g/mol
Exact Mass348.99
IUPAC Name5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y]
InChIInChI=1S/C15H15ClNO.Y/c1-4-18-13-7-5-12(6-8-13)15-10-9-14(16)11(2)17(15)3;/h5-9H,2,4H2,1,3H3;/q-1;
InChIKeyBYDIOPICNLDGFC-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158289970
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
4-(chloromethyl)-3-(4-ethoxyphenyl)-1-methylpyrazole
CID 39095673
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
CID 39097031
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 153050707
3-(4-chlorophenyl)-4-(4-ethoxyanilino)-1-methylpyrrole-2,5-dione
CID 110599313
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 157409502) is 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(Cl)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y].
What is the InChIKey of 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is BYDIOPICNLDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClNO.Y/c1-4-18-13-7-5-12(6-8-13)15-10-9-14(16)11(2)17(15)3;/h5-9H,2,4H2,1,3H3;/q-1;.
What are the key properties of 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 349.65 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 157409502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).