5-nitrofuro[3,2-b]pyridine

C7H4N2O3 — CID 10511213

IUPAC5-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc2occc2n1
InChIInChI=1S/C7H4N2O3/c10-9(11)7-2-1-6-5(8-7)3-4-12-6/h1-4H
InChIKeyXCEOLAJTOQFBFF-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.74
Rot. Bonds1

About 5-nitrofuro[3,2-b]pyridine

5-nitrofuro[3,2-b]pyridine (PubChem CID 10511213) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 5-nitrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-nitrofuro[3,2-b]pyridine
PubChem CID10511213
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name5-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc2occc2n1
InChIInChI=1S/C7H4N2O3/c10-9(11)7-2-1-6-5(8-7)3-4-12-6/h1-4H
InChIKeyXCEOLAJTOQFBFF-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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Related Compounds

7-chloro-5-nitrofuro[3,2-b]pyridine
CID 167359993
5-iodofuro[3,2-b]pyridine
CID 87816871
6-nitrofuro[3,2-b]pyridine
CID 174208193
2-nitro-1,3-benzoxazole-6-carbaldehyde
CID 130953589
7-nitrofuro[3,2-b]pyridine
CID 10607098
5-nitro-1,3-benzoxazole
CID 1482180
5-nitro-[1,3]dioxolo[4,5-b]pyridine
CID 131206454
3-bromo-2-chloro-6-nitropyridine
CID 130779079
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
6-methylfuro[3,2-b]pyridine-5-carbonitrile
CID 67246676
6-nitro-3-phenylpyridin-2-amine
CID 119007149
2-methoxy-6-nitropyridine
CID 69112331

Frequently Asked Questions

What is the IUPAC name of 5-nitrofuro[3,2-b]pyridine?
The IUPAC name of 5-nitrofuro[3,2-b]pyridine (CID 10511213) is 5-nitrofuro[3,2-b]pyridine.
What is the SMILES notation for 5-nitrofuro[3,2-b]pyridine?
The canonical SMILES for 5-nitrofuro[3,2-b]pyridine is O=[N+]([O-])c1ccc2occc2n1.
What is the InChIKey of 5-nitrofuro[3,2-b]pyridine?
The InChIKey is XCEOLAJTOQFBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-9(11)7-2-1-6-5(8-7)3-4-12-6/h1-4H.
What are the key properties of 5-nitrofuro[3,2-b]pyridine?
5-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 5-nitrofuro[3,2-b]pyridine is sourced from PubChem (CID 10511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).