4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium

C18H15N2Y- — CID 170543461

IUPAC4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium
SMILESCc1ccc(-c2[c-]cncc2)[c-]c1-c1cccc[n+]1C.[Y]
InChIInChI=1S/C18H15N2.Y/c1-14-6-7-16(15-8-10-19-11-9-15)13-17(14)18-5-3-4-12-20(18)2;/h3-8,10-12H,1-2H3;/q-1;
InChIKeyDVIPGQOYOKSRJX-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.15
Rot. Bonds2

About 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium

4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium (PubChem CID 170543461) has the molecular formula C18H15N2Y- and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium
PubChem CID170543461
Molecular FormulaC18H15N2Y-
Molecular Weight348.24 g/mol
Exact Mass348.03
IUPAC Name4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium
SMILESCc1ccc(-c2[c-]cncc2)[c-]c1-c1cccc[n+]1C.[Y]
InChIInChI=1S/C18H15N2.Y/c1-14-6-7-16(15-8-10-19-11-9-15)13-17(14)18-5-3-4-12-20(18)2;/h3-8,10-12H,1-2H3;/q-1;
InChIKeyDVIPGQOYOKSRJX-UHFFFAOYSA-N
XLogP3.15
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-4H-benzo[c][1,5]naphthyridin-4-ide;yttrium
CID 153428633
ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)
CID 163494084
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
CID 177081636
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-h]isoquinoline
CID 140827720
5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
CID 123928207
ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
CID 155692728
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
1-methyl-2-[2-methyl-5-(1H-naphthalen-1-id-2-yl)benzene-6-id-1-yl]-3-phenylimidazol-1-ium;yttrium
CID 167339211

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium?
The IUPAC name of 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium (CID 170543461) is 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium is Cc1ccc(-c2[c-]cncc2)[c-]c1-c1cccc[n+]1C.[Y].
What is the InChIKey of 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium?
The InChIKey is DVIPGQOYOKSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.Y/c1-14-6-7-16(15-8-10-19-11-9-15)13-17(14)18-5-3-4-12-20(18)2;/h3-8,10-12H,1-2H3;/q-1;.
What are the key properties of 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium?
4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium has a molecular weight of 348.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzene-2-id-1-yl]-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 170543461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).