1-(furan-2-yl)-2-nitro-2H-pyridine

C9H8N2O3 — CID 70582911

IUPAC1-(furan-2-yl)-2-nitro-2H-pyridine
SMILESO=[N+]([O-])C1C=CC=CN1c1ccco1
InChIInChI=1S/C9H8N2O3/c12-11(13)8-4-1-2-6-10(8)9-5-3-7-14-9/h1-8H
InChIKeyIILMXUYXHVWOPR-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.77
Rot. Bonds2

About 1-(furan-2-yl)-2-nitro-2H-pyridine

1-(furan-2-yl)-2-nitro-2H-pyridine (PubChem CID 70582911) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-nitro-2H-pyridine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-nitro-2H-pyridine
PubChem CID70582911
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1-(furan-2-yl)-2-nitro-2H-pyridine
SMILESO=[N+]([O-])C1C=CC=CN1c1ccco1
InChIInChI=1S/C9H8N2O3/c12-11(13)8-4-1-2-6-10(8)9-5-3-7-14-9/h1-8H
InChIKeyIILMXUYXHVWOPR-UHFFFAOYSA-N
XLogP1.77
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.77
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 1-(furan-2-yl)-2-nitro-2H-pyridine?
The IUPAC name of 1-(furan-2-yl)-2-nitro-2H-pyridine (CID 70582911) is 1-(furan-2-yl)-2-nitro-2H-pyridine.
What is the SMILES notation for 1-(furan-2-yl)-2-nitro-2H-pyridine?
The canonical SMILES for 1-(furan-2-yl)-2-nitro-2H-pyridine is O=[N+]([O-])C1C=CC=CN1c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-nitro-2H-pyridine?
The InChIKey is IILMXUYXHVWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-11(13)8-4-1-2-6-10(8)9-5-3-7-14-9/h1-8H.
What are the key properties of 1-(furan-2-yl)-2-nitro-2H-pyridine?
1-(furan-2-yl)-2-nitro-2H-pyridine has a molecular weight of 192.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-nitro-2H-pyridine is sourced from PubChem (CID 70582911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).