2-(2-chloroethynyl)-5-nitrofuran

C6H2ClNO3 — CID 21434741

IUPAC2-(2-chloroethynyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C#CCl)o1
InChIInChI=1S/C6H2ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-2H
InChIKeyMVIOTQQOGRVCQB-UHFFFAOYSA-N
MW171.54 g/mol
LogP1.74
Rot. Bonds1

About 2-(2-chloroethynyl)-5-nitrofuran

2-(2-chloroethynyl)-5-nitrofuran (PubChem CID 21434741) has the molecular formula C6H2ClNO3 and a molecular weight of 171.54 g/mol. Its IUPAC name is 2-(2-chloroethynyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(2-chloroethynyl)-5-nitrofuran
PubChem CID21434741
Molecular FormulaC6H2ClNO3
Molecular Weight171.54 g/mol
Exact Mass170.97
IUPAC Name2-(2-chloroethynyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C#CCl)o1
InChIInChI=1S/C6H2ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-2H
InChIKeyMVIOTQQOGRVCQB-UHFFFAOYSA-N
XLogP1.74
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.54
LogP ≤ 51.74
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5-nitrofuran-2-yl) thiocyanate
CID 71338017
2-isocyanato-5-nitrofuran
CID 21494134
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
(5-nitrofuran-2-yl)methanamine
CID 13211642
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
1-(5-nitrofuran-2-yl)piperidine
CID 134976034
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethynyl)-5-nitrofuran?
The IUPAC name of 2-(2-chloroethynyl)-5-nitrofuran (CID 21434741) is 2-(2-chloroethynyl)-5-nitrofuran.
What is the SMILES notation for 2-(2-chloroethynyl)-5-nitrofuran?
The canonical SMILES for 2-(2-chloroethynyl)-5-nitrofuran is O=[N+]([O-])c1ccc(C#CCl)o1.
What is the InChIKey of 2-(2-chloroethynyl)-5-nitrofuran?
The InChIKey is MVIOTQQOGRVCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-2H.
What are the key properties of 2-(2-chloroethynyl)-5-nitrofuran?
2-(2-chloroethynyl)-5-nitrofuran has a molecular weight of 171.54 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethynyl)-5-nitrofuran is sourced from PubChem (CID 21434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).