6-nitrofuro[3,2-b]pyridine

C7H4N2O3 — CID 174208193

IUPAC6-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cnc2ccoc2c1
InChIInChI=1S/C7H4N2O3/c10-9(11)5-3-7-6(8-4-5)1-2-12-7/h1-4H
InChIKeyADFAXTZPQFUBAY-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.74
Rot. Bonds1

About 6-nitrofuro[3,2-b]pyridine

6-nitrofuro[3,2-b]pyridine (PubChem CID 174208193) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 6-nitrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-nitrofuro[3,2-b]pyridine
PubChem CID174208193
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name6-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cnc2ccoc2c1
InChIInChI=1S/C7H4N2O3/c10-9(11)5-3-7-6(8-4-5)1-2-12-7/h1-4H
InChIKeyADFAXTZPQFUBAY-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

2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
CID 105452506
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 86748677
furo[3,2-b]pyridine-6-carbonitrile
CID 46318199
5-nitrofuro[3,2-b]pyridine
CID 10511213
5-methyl-3-nitroquinoline
CID 119082281
5-nitro-1,3-benzoxazole
CID 1482180
(3-nitroquinolin-7-yl)methanesulfinate
CID 174560872
6-(2-methylpropyl)furo[3,2-b]pyridine
CID 155392536
7-nitrofuro[3,2-b]pyridine
CID 10607098
3-(furan-3-yl)-2-methyl-5-nitropyridine
CID 165009700
2-fluoro-5-nitropyridin-3-ol
CID 130057663

Frequently Asked Questions

What is the IUPAC name of 6-nitrofuro[3,2-b]pyridine?
The IUPAC name of 6-nitrofuro[3,2-b]pyridine (CID 174208193) is 6-nitrofuro[3,2-b]pyridine.
What is the SMILES notation for 6-nitrofuro[3,2-b]pyridine?
The canonical SMILES for 6-nitrofuro[3,2-b]pyridine is O=[N+]([O-])c1cnc2ccoc2c1.
What is the InChIKey of 6-nitrofuro[3,2-b]pyridine?
The InChIKey is ADFAXTZPQFUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-9(11)5-3-7-6(8-4-5)1-2-12-7/h1-4H.
What are the key properties of 6-nitrofuro[3,2-b]pyridine?
6-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 6-nitrofuro[3,2-b]pyridine is sourced from PubChem (CID 174208193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).