3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)

C12H9NY31-2 — CID 155613734

IUPAC3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)
SMILESCc1cc[c-]c(-c2[c-]nccc2)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H9N.31Y/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-4,6-8H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIGDYJNSRSVJVQH-UHFFFAOYSA-N
MW2923.30 g/mol
LogP2.58
Rot. Bonds1

About 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)

3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium) (PubChem CID 155613734) has the molecular formula C12H9NY31-2 and a molecular weight of 2923.30 g/mol. Its IUPAC name is 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium).

Molecular Properties

Compound Name3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)
PubChem CID155613734
Molecular FormulaC12H9NY31-2
Molecular Weight2923.30 g/mol
Exact Mass2923.16
IUPAC Name3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)
SMILESCc1cc[c-]c(-c2[c-]nccc2)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H9N.31Y/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-4,6-8H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIGDYJNSRSVJVQH-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002923.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cycloheptindole
CID 87491806
1H-indeno[1,2-c]pyridine
CID 17967584
1H-Cyclopenta[C]pyridine
CID 20059250
CID 54211489
CID 54211489
7-propyl-6H-indole
CID 56638971
5H-isoindole
CID 57235079
2-(2-methylpropyl)-3H-pyridin-3-ide;bis(yttrium)
CID 57725293
carbanide;3-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856174
3-propan-2-yl-2H-pyridin-2-ide;rhodium
CID 58126740
5-ethyl-2H-pyridin-2-ide;propane;yttrium
CID 58257619
carbanide;5-ethyl-2H-pyridin-2-ide;yttrium
CID 58257686
3-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 58365508

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)?
The IUPAC name of 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium) (CID 155613734) is 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium).
What is the SMILES notation for 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)?
The canonical SMILES for 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium) is Cc1cc[c-]c(-c2[c-]nccc2)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)?
The InChIKey is IGDYJNSRSVJVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.31Y/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-4,6-8H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium)?
3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium) has a molecular weight of 2923.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbenzene-6-id-1-yl)-2H-pyridin-2-ide;(yttrium) is sourced from PubChem (CID 155613734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).