1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde

C9H6N2O2 — CID 53413137

IUPAC1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
SMILESO=Cc1ccnc2[nH]cc(C=O)c12
InChIInChI=1S/C9H6N2O2/c12-4-6-1-2-10-9-8(6)7(5-13)3-11-9/h1-5H,(H,10,11)
InChIKeyJSVQERJAFBDBHS-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.19
Rot. Bonds2

About 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde

1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde (PubChem CID 53413137) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
PubChem CID53413137
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
SMILESO=Cc1ccnc2[nH]cc(C=O)c12
InChIInChI=1S/C9H6N2O2/c12-4-6-1-2-10-9-8(6)7(5-13)3-11-9/h1-5H,(H,10,11)
InChIKeyJSVQERJAFBDBHS-UHFFFAOYSA-N
XLogP1.19
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde (CID 53413137) is 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde is O=Cc1ccnc2[nH]cc(C=O)c12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde?
The InChIKey is JSVQERJAFBDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-4-6-1-2-10-9-8(6)7(5-13)3-11-9/h1-5H,(H,10,11).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde?
1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde has a molecular weight of 174.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde is sourced from PubChem (CID 53413137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).