7-nitrofuro[3,2-b]pyridine

C7H4N2O3 — CID 10607098

IUPAC7-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccnc2ccoc12
InChIInChI=1S/C7H4N2O3/c10-9(11)6-1-3-8-5-2-4-12-7(5)6/h1-4H
InChIKeyXVBGOXPQNFRBBG-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.74
Rot. Bonds1

About 7-nitrofuro[3,2-b]pyridine

7-nitrofuro[3,2-b]pyridine (PubChem CID 10607098) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 7-nitrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name7-nitrofuro[3,2-b]pyridine
PubChem CID10607098
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name7-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccnc2ccoc12
InChIInChI=1S/C7H4N2O3/c10-9(11)6-1-3-8-5-2-4-12-7(5)6/h1-4H
InChIKeyXVBGOXPQNFRBBG-UHFFFAOYSA-N
XLogP1.74
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-nitrofuro[3,2-b]pyridine?
The IUPAC name of 7-nitrofuro[3,2-b]pyridine (CID 10607098) is 7-nitrofuro[3,2-b]pyridine.
What is the SMILES notation for 7-nitrofuro[3,2-b]pyridine?
The canonical SMILES for 7-nitrofuro[3,2-b]pyridine is O=[N+]([O-])c1ccnc2ccoc12.
What is the InChIKey of 7-nitrofuro[3,2-b]pyridine?
The InChIKey is XVBGOXPQNFRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-9(11)6-1-3-8-5-2-4-12-7(5)6/h1-4H.
What are the key properties of 7-nitrofuro[3,2-b]pyridine?
7-nitrofuro[3,2-b]pyridine has a molecular weight of 164.12 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitrofuro[3,2-b]pyridine is sourced from PubChem (CID 10607098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).