2-chloro-3-(5-nitrofuran-2-yl)pyridine

C9H5ClN2O3 — CID 165356727

IUPAC2-chloro-3-(5-nitrofuran-2-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2Cl)o1
InChIInChI=1S/C9H5ClN2O3/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H
InChIKeyNYBUSDGAHCZFRF-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-3-(5-nitrofuran-2-yl)pyridine

2-chloro-3-(5-nitrofuran-2-yl)pyridine (PubChem CID 165356727) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 2-chloro-3-(5-nitrofuran-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(5-nitrofuran-2-yl)pyridine
PubChem CID165356727
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name2-chloro-3-(5-nitrofuran-2-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2Cl)o1
InChIInChI=1S/C9H5ClN2O3/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H
InChIKeyNYBUSDGAHCZFRF-UHFFFAOYSA-N
XLogP2.90
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-3-(5-nitrofuran-2-yl)pyridine?
The IUPAC name of 2-chloro-3-(5-nitrofuran-2-yl)pyridine (CID 165356727) is 2-chloro-3-(5-nitrofuran-2-yl)pyridine.
What is the SMILES notation for 2-chloro-3-(5-nitrofuran-2-yl)pyridine?
The canonical SMILES for 2-chloro-3-(5-nitrofuran-2-yl)pyridine is O=[N+]([O-])c1ccc(-c2cccnc2Cl)o1.
What is the InChIKey of 2-chloro-3-(5-nitrofuran-2-yl)pyridine?
The InChIKey is NYBUSDGAHCZFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-9-6(2-1-5-11-9)7-3-4-8(15-7)12(13)14/h1-5H.
What are the key properties of 2-chloro-3-(5-nitrofuran-2-yl)pyridine?
2-chloro-3-(5-nitrofuran-2-yl)pyridine has a molecular weight of 224.60 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(5-nitrofuran-2-yl)pyridine is sourced from PubChem (CID 165356727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).