3-pyrazin-2-ylindolizine-2-carbaldehyde

C13H9N3O — CID 118572942

IUPAC3-pyrazin-2-ylindolizine-2-carbaldehyde
SMILESO=Cc1cc2ccccn2c1-c1cnccn1
InChIInChI=1S/C13H9N3O/c17-9-10-7-11-3-1-2-6-16(11)13(10)12-8-14-4-5-15-12/h1-9H
InChIKeyAOSPXVZUOSVHHP-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

About 3-pyrazin-2-ylindolizine-2-carbaldehyde

3-pyrazin-2-ylindolizine-2-carbaldehyde (PubChem CID 118572942) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-pyrazin-2-ylindolizine-2-carbaldehyde.

Molecular Properties

Compound Name3-pyrazin-2-ylindolizine-2-carbaldehyde
PubChem CID118572942
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name3-pyrazin-2-ylindolizine-2-carbaldehyde
SMILESO=Cc1cc2ccccn2c1-c1cnccn1
InChIInChI=1S/C13H9N3O/c17-9-10-7-11-3-1-2-6-16(11)13(10)12-8-14-4-5-15-12/h1-9H
InChIKeyAOSPXVZUOSVHHP-UHFFFAOYSA-N
XLogP2.21
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde
CID 118573390
3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde
CID 118573227
2-ethyl-3-pyridin-3-ylindolizine
CID 118607557
(3-pyridin-2-ylindolizin-2-yl)methanamine
CID 118573265
2-ethyl-3-pyridin-4-ylindolizine
CID 118607562
hydron;indolizine-3-carbaldehyde
CID 174569111
4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
iron;2-(6-pyrazin-2-yl-2-pyridinyl)pyrazine
CID 175253430
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953
4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
CID 63970246
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylindolizine-2-carbaldehyde?
The IUPAC name of 3-pyrazin-2-ylindolizine-2-carbaldehyde (CID 118572942) is 3-pyrazin-2-ylindolizine-2-carbaldehyde.
What is the SMILES notation for 3-pyrazin-2-ylindolizine-2-carbaldehyde?
The canonical SMILES for 3-pyrazin-2-ylindolizine-2-carbaldehyde is O=Cc1cc2ccccn2c1-c1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylindolizine-2-carbaldehyde?
The InChIKey is AOSPXVZUOSVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-9-10-7-11-3-1-2-6-16(11)13(10)12-8-14-4-5-15-12/h1-9H.
What are the key properties of 3-pyrazin-2-ylindolizine-2-carbaldehyde?
3-pyrazin-2-ylindolizine-2-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylindolizine-2-carbaldehyde is sourced from PubChem (CID 118572942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).