2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium

C14H16NOY- — CID 177235406

IUPAC2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
SMILESCOC1=CCC(C)C(c2c[c-]c(C)cn2)=C1.[Y]
InChIInChI=1S/C14H16NO.Y/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2;/h6-9,11H,5H2,1-3H3;/q-1;
InChIKeyALTRYBLAQVPFSN-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.14
Rot. Bonds2

About 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium

2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium (PubChem CID 177235406) has the molecular formula C14H16NOY- and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
PubChem CID177235406
Molecular FormulaC14H16NOY-
Molecular Weight303.19 g/mol
Exact Mass303.03
IUPAC Name2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium
SMILESCOC1=CCC(C)C(c2c[c-]c(C)cn2)=C1.[Y]
InChIInChI=1S/C14H16NO.Y/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2;/h6-9,11H,5H2,1-3H3;/q-1;
InChIKeyALTRYBLAQVPFSN-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium (CID 177235406) is 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium is COC1=CCC(C)C(c2c[c-]c(C)cn2)=C1.[Y].
What is the InChIKey of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
The InChIKey is ALTRYBLAQVPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO.Y/c1-10-4-7-14(15-9-10)13-8-12(16-3)6-5-11(13)2;/h6-9,11H,5H2,1-3H3;/q-1;.
What are the key properties of 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium?
2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium has a molecular weight of 303.19 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-methyl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 177235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).