2-chloro-3-nitrofuran

C4H2ClNO3 — CID 18760385

IUPAC2-chloro-3-nitrofuran
SMILESO=[N+]([O-])c1ccoc1Cl
InChIInChI=1S/C4H2ClNO3/c5-4-3(6(7)8)1-2-9-4/h1-2H
InChIKeyDYFVEQFSHMVWNT-UHFFFAOYSA-N
MW147.52 g/mol
LogP1.84
Rot. Bonds1

About 2-chloro-3-nitrofuran

2-chloro-3-nitrofuran (PubChem CID 18760385) has the molecular formula C4H2ClNO3 and a molecular weight of 147.52 g/mol. Its IUPAC name is 2-chloro-3-nitrofuran.

Molecular Properties

Compound Name2-chloro-3-nitrofuran
PubChem CID18760385
Molecular FormulaC4H2ClNO3
Molecular Weight147.52 g/mol
Exact Mass146.97
IUPAC Name2-chloro-3-nitrofuran
SMILESO=[N+]([O-])c1ccoc1Cl
InChIInChI=1S/C4H2ClNO3/c5-4-3(6(7)8)1-2-9-4/h1-2H
InChIKeyDYFVEQFSHMVWNT-UHFFFAOYSA-N
XLogP1.84
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.52
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-chloro-3-nitrofuran?
The IUPAC name of 2-chloro-3-nitrofuran (CID 18760385) is 2-chloro-3-nitrofuran.
What is the SMILES notation for 2-chloro-3-nitrofuran?
The canonical SMILES for 2-chloro-3-nitrofuran is O=[N+]([O-])c1ccoc1Cl.
What is the InChIKey of 2-chloro-3-nitrofuran?
The InChIKey is DYFVEQFSHMVWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO3/c5-4-3(6(7)8)1-2-9-4/h1-2H.
What are the key properties of 2-chloro-3-nitrofuran?
2-chloro-3-nitrofuran has a molecular weight of 147.52 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitrofuran is sourced from PubChem (CID 18760385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).