2-nitrofuro[3,2-b]pyridine

C7H4N2O3 — CID 641457

IUPAC2-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc2ncccc2o1
InChIInChI=1S/C7H4N2O3/c10-9(11)7-4-5-6(12-7)2-1-3-8-5/h1-4H
InChIKeySTKFOJXRZLBWKH-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.74
Rot. Bonds1

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

2-nitrofuro[3,2-b]pyridine (PubChem CID 641457) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 2-nitrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-nitrofuro[3,2-b]pyridine
PubChem CID641457
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name2-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc2ncccc2o1
InChIInChI=1S/C7H4N2O3/c10-9(11)7-4-5-6(12-7)2-1-3-8-5/h1-4H
InChIKeySTKFOJXRZLBWKH-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

furo[3,2-b]pyridine-2-carbaldehyde
CID 642127
2-iodofuro[3,2-b]pyridine
CID 126713754
furo[3,2-b]pyridin-2-amine
CID 82593833
1-furo[3,2-b]pyridin-2-ylethanone
CID 84764333
furo[3,2-b]pyridin-2-ylboronic acid
CID 119086080
formaldehyde;bis(7-nitroquinoline)
CID 174420238
2-chloro-3-(5-nitrofuran-2-yl)pyridine
CID 165356727
2-pyrimidin-5-ylfuro[3,2-b]pyridine
CID 119090842
2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid
CID 84786549
5-methyl-7-nitroquinoline
CID 825902
N-(furo[3,2-b]pyridin-2-ylmethyl)-N-methylhydroxylamine
CID 84767584
7-methyl-5-nitroquinoline
CID 137347294

Frequently Asked Questions

What is the IUPAC name of 2-nitrofuro[3,2-b]pyridine?
The IUPAC name of 2-nitrofuro[3,2-b]pyridine (CID 641457) is 2-nitrofuro[3,2-b]pyridine.
What is the SMILES notation for 2-nitrofuro[3,2-b]pyridine?
The canonical SMILES for 2-nitrofuro[3,2-b]pyridine is O=[N+]([O-])c1cc2ncccc2o1.
What is the InChIKey of 2-nitrofuro[3,2-b]pyridine?
The InChIKey is STKFOJXRZLBWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-9(11)7-4-5-6(12-7)2-1-3-8-5/h1-4H.
What are the key properties of 2-nitrofuro[3,2-b]pyridine?
2-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 2-nitrofuro[3,2-b]pyridine is sourced from PubChem (CID 641457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).