1-oxidopyrrolo[2,3-c]pyridine

C7H5N2O- — CID 87757695

IUPAC1-oxidopyrrolo[2,3-c]pyridine
SMILES[O-]n1ccc2ccncc21
InChIInChI=1S/C7H5N2O/c10-9-4-2-6-1-3-8-5-7(6)9/h1-5H/q-1
InChIKeyPJTKXWQQISPDON-UHFFFAOYSA-N
MW133.13 g/mol
LogP1.38
Rot. Bonds

About 1-oxidopyrrolo[2,3-c]pyridine

1-oxidopyrrolo[2,3-c]pyridine (PubChem CID 87757695) has the molecular formula C7H5N2O- and a molecular weight of 133.13 g/mol. Its IUPAC name is 1-oxidopyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-oxidopyrrolo[2,3-c]pyridine
PubChem CID87757695
Molecular FormulaC7H5N2O-
Molecular Weight133.13 g/mol
Exact Mass133.04
IUPAC Name1-oxidopyrrolo[2,3-c]pyridine
SMILES[O-]n1ccc2ccncc21
InChIInChI=1S/C7H5N2O/c10-9-4-2-6-1-3-8-5-7(6)9/h1-5H/q-1
InChIKeyPJTKXWQQISPDON-UHFFFAOYSA-N
XLogP1.38
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrrolo[2,3-c]pyridine?
The IUPAC name of 1-oxidopyrrolo[2,3-c]pyridine (CID 87757695) is 1-oxidopyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-oxidopyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-oxidopyrrolo[2,3-c]pyridine is [O-]n1ccc2ccncc21.
What is the InChIKey of 1-oxidopyrrolo[2,3-c]pyridine?
The InChIKey is PJTKXWQQISPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2O/c10-9-4-2-6-1-3-8-5-7(6)9/h1-5H/q-1.
What are the key properties of 1-oxidopyrrolo[2,3-c]pyridine?
1-oxidopyrrolo[2,3-c]pyridine has a molecular weight of 133.13 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrrolo[2,3-c]pyridine is sourced from PubChem (CID 87757695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).