3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium

C10H6N2Y-2 — CID 58813527

IUPAC3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium
SMILES[Y].[c-]1cnccc1-c1[c-]ccnc1
InChIInChI=1S/C10H6N2.Y/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;/h1,3,5-8H;/q-2;
InChIKeyORVOTVHLBMDQLJ-UHFFFAOYSA-N
MW243.08 g/mol
LogP1.74
Rot. Bonds1

About 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium

3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium (PubChem CID 58813527) has the molecular formula C10H6N2Y-2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium
PubChem CID58813527
Molecular FormulaC10H6N2Y-2
Molecular Weight243.08 g/mol
Exact Mass242.96
IUPAC Name3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium
SMILES[Y].[c-]1cnccc1-c1[c-]ccnc1
InChIInChI=1S/C10H6N2.Y/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;/h1,3,5-8H;/q-2;
InChIKeyORVOTVHLBMDQLJ-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 51.74
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

Cyclobuta[1,2-c:4,3-c']dipyridine
CID 141663
lithium 5H-isoquinolin-5-ide
CID 21984017
6,7-Dihydroisoquinoline
CID 45079920
6H-Cyclopenta[C]pyridine
CID 56972380
4H-isoindole
CID 57015883
5H-isoindole
CID 57235079
[(3Z)-3-prop-2-enylidene-4-pyridinylidene]tungsten
CID 58101316
2-(3H-pyridin-3-id-4-yl)-3H-pyridin-3-ide;yttrium
CID 58813429
2-(4H-pyridin-4-id-3-yl)-3H-pyridin-3-ide;yttrium
CID 58813475
3-(3H-pyridin-3-id-4-yl)-2H-pyridin-2-ide;yttrium
CID 58813492
3-(2H-pyridin-2-id-3-yl)-4H-pyridin-4-ide;yttrium
CID 58813586
4-(3H-pyridin-3-id-4-yl)-3H-pyridin-3-ide;yttrium
CID 58813677

Frequently Asked Questions

What is the IUPAC name of 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium?
The IUPAC name of 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium (CID 58813527) is 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium is [Y].[c-]1cnccc1-c1[c-]ccnc1.
What is the InChIKey of 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium?
The InChIKey is ORVOTVHLBMDQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2.Y/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;/h1,3,5-8H;/q-2;.
What are the key properties of 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium?
3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium has a molecular weight of 243.08 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-pyridin-3-id-4-yl)-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 58813527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).