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

C16H14NOY- — CID 159260116

IUPAC5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CC1=C[C-]=C(c2ccc(OC)cc2)N(C)C1=C.[Y]
InChIInChI=1S/C16H14NO.Y/c1-5-13-8-11-16(17(3)12(13)2)14-6-9-15(18-4)10-7-14;/h1,6-10H,2H2,3-4H3;/q-1;
InChIKeySEHWNHIRNJUDIB-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.86
Rot. Bonds2

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

5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159260116) has the molecular formula C16H14NOY- and a molecular weight of 325.20 g/mol. Its IUPAC name is 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159260116
Molecular FormulaC16H14NOY-
Molecular Weight325.20 g/mol
Exact Mass325.01
IUPAC Name5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CC1=C[C-]=C(c2ccc(OC)cc2)N(C)C1=C.[Y]
InChIInChI=1S/C16H14NO.Y/c1-5-13-8-11-16(17(3)12(13)2)14-6-9-15(18-4)10-7-14;/h1,6-10H,2H2,3-4H3;/q-1;
InChIKeySEHWNHIRNJUDIB-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
6-(4-chlorophenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
CID 161409978
4-(4-methoxyphenyl)-3-methyl-2-methylidene-1,3-thiazole
CID 146556507
2-ethynyl-5-methoxybenzonitrile
CID 166529929
6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
CID 157141618
1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
CID 158723879
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
2-ethynyl-4-(4-methoxyphenyl)thiophene
CID 171393347
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-ethyl-6-(4-methoxyphenyl)-3-methyl-2-methylidenepyridine
CID 149225272

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159260116) is 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C#CC1=C[C-]=C(c2ccc(OC)cc2)N(C)C1=C.[Y].
What is the InChIKey of 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is SEHWNHIRNJUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NO.Y/c1-5-13-8-11-16(17(3)12(13)2)14-6-9-15(18-4)10-7-14;/h1,6-10H,2H2,3-4H3;/q-1;.
What are the key properties of 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 325.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-(4-methoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159260116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).