2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one

C12H11N3O — CID 154448813

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
SMILESO=C1C=CC2=NC(C3=CCNCC3)=CC2=N1
InChIInChI=1S/C12H11N3O/c16-12-2-1-9-11(15-12)7-10(14-9)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
InChIKeyHBOWDOVOKOGUEZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.78
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one

2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one (PubChem CID 154448813) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
PubChem CID154448813
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one
SMILESO=C1C=CC2=NC(C3=CCNCC3)=CC2=N1
InChIInChI=1S/C12H11N3O/c16-12-2-1-9-11(15-12)7-10(14-9)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
InChIKeyHBOWDOVOKOGUEZ-UHFFFAOYSA-N
XLogP0.78
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one (CID 154448813) is 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one is O=C1C=CC2=NC(C3=CCNCC3)=CC2=N1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
The InChIKey is HBOWDOVOKOGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12-2-1-9-11(15-12)7-10(14-9)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one?
2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one has a molecular weight of 213.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 154448813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).