7-hydroxy-3-nitropyrrolo[2,3-b]pyridine

C7H5N3O3 — CID 12646043

IUPAC7-hydroxy-3-nitropyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cnc2n(O)cccc1-2
InChIInChI=1S/C7H5N3O3/c11-9-3-1-2-5-6(10(12)13)4-8-7(5)9/h1-4,11H
InChIKeyRDJVMDHDMYNMJW-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.13
Rot. Bonds1

About 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine

7-hydroxy-3-nitropyrrolo[2,3-b]pyridine (PubChem CID 12646043) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7-hydroxy-3-nitropyrrolo[2,3-b]pyridine
PubChem CID12646043
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name7-hydroxy-3-nitropyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cnc2n(O)cccc1-2
InChIInChI=1S/C7H5N3O3/c11-9-3-1-2-5-6(10(12)13)4-8-7(5)9/h1-4,11H
InChIKeyRDJVMDHDMYNMJW-UHFFFAOYSA-N
XLogP1.13
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine?
The IUPAC name of 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine (CID 12646043) is 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine?
The canonical SMILES for 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine is O=[N+]([O-])c1cnc2n(O)cccc1-2.
What is the InChIKey of 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine?
The InChIKey is RDJVMDHDMYNMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-9-3-1-2-5-6(10(12)13)4-8-7(5)9/h1-4,11H.
What are the key properties of 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine?
7-hydroxy-3-nitropyrrolo[2,3-b]pyridine has a molecular weight of 179.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-nitropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 12646043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).