3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium

C9H6N2Y-2 — CID 58813466

IUPAC3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-][nH]cc1
InChIInChI=1S/C9H6N2.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5,11H;/q-2;
InChIKeyPJEPXVPVRKMTRZ-UHFFFAOYSA-N
MW231.07 g/mol
LogP1.67
Rot. Bonds1

About 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium

3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 58813466) has the molecular formula C9H6N2Y-2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium
PubChem CID58813466
Molecular FormulaC9H6N2Y-2
Molecular Weight231.07 g/mol
Exact Mass230.96
IUPAC Name3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-][nH]cc1
InChIInChI=1S/C9H6N2.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5,11H;/q-2;
InChIKeyPJEPXVPVRKMTRZ-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813407
3,7-Diazabicyclo[11.4.0]heptadeca-1,3,5,8,10,12,14,16-octaene
CID 177342756
3-(1,2-dihydropyrrol-3-ylidenemethyl)-2H-pyrrole
CID 59096491
7H-pyrrolo[3,4-f]isoquinoline
CID 135407228
2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
CID 172856685

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium (CID 58813466) is 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium is [Y].[c-]1ncccc1-c1[c-][nH]cc1.
What is the InChIKey of 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is PJEPXVPVRKMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2.Y/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h1-5,11H;/q-2;.
What are the key properties of 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium?
3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium has a molecular weight of 231.07 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58813466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).