4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde

C8H7N3O — CID 55212084

IUPAC4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESNc1nccc2[nH]c(C=O)cc12
InChIInChI=1S/C8H7N3O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-4,11H,(H2,9,10)
InChIKeyYTJSCLQGTFKMGJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.96
Rot. Bonds1

About 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde

4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 55212084) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
PubChem CID55212084
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESNc1nccc2[nH]c(C=O)cc12
InChIInChI=1S/C8H7N3O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-4,11H,(H2,9,10)
InChIKeyYTJSCLQGTFKMGJ-UHFFFAOYSA-N
XLogP0.96
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde (CID 55212084) is 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde is Nc1nccc2[nH]c(C=O)cc12.
What is the InChIKey of 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is YTJSCLQGTFKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8-6-3-5(4-12)11-7(6)1-2-10-8/h1-4,11H,(H2,9,10).
What are the key properties of 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde?
4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 55212084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).