1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C13H11N3O2 — CID 163260956

IUPAC1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1
InChIInChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2
InChIKeyGFRVIMAJEBSDIY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.69
Rot. Bonds2

About 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 163260956) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID163260956
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1
InChIInChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2
InChIKeyGFRVIMAJEBSDIY-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 163260956) is 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1.
What is the InChIKey of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is GFRVIMAJEBSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2.
What are the key properties of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 163260956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).