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

C9H6N2Y-2 — CID 58813407

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

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

3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 58813407) has the molecular formula C9H6N2Y-2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium
PubChem CID58813407
Molecular FormulaC9H6N2Y-2
Molecular Weight231.07 g/mol
Exact Mass230.96
IUPAC Name3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-]cc[nH]1
InChIInChI=1S/C9H6N2.Y/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1-3,5-6,11H;/q-2;
InChIKeyDVSFWXHWJMSLEO-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5h-Pyrrolo[2,3-f]indole
CID 69450160
Pyrido[3,2-c]azepine
CID 129706333
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
3-(1,2-dihydropyrrol-2-id-3-yl)-2H-pyridin-2-ide;yttrium
CID 58813466
2-Phenyl-1,3-dihydropyrrol-3-ide;yttrium
CID 58813739
3,15-Diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
CID 87852946
3-Oxido-10-aza-3-azoniatricyclo[7.4.0.02,7]trideca-1,4,6,8,10,12-hexaene
CID 88497627
1H-pyrrolo[3,4-g]quinoline
CID 135621801
6H-Pyrrolo[2,3-g]quinoxaline
CID 135703143
9H-pyrrolo[3,2-c][1,5]naphthyridine
CID 136026219
1H-pyrrolo[3,4-h]quinoline
CID 136430464

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium (CID 58813407) is 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium is [Y].[c-]1ncccc1-c1[c-]cc[nH]1.
What is the InChIKey of 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is DVSFWXHWJMSLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2.Y/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h1-3,5-6,11H;/q-2;.
What are the key properties of 3-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium?
3-(1,3-dihydropyrrol-3-id-2-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-(1,3-dihydropyrrol-3-id-2-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58813407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).