2-[(E)-2-chloroethenyl]-5-nitrofuran

C6H4ClNO3 — CID 127261425

IUPAC2-[(E)-2-chloroethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C/Cl)o1
InChIInChI=1S/C6H4ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+
InChIKeyBALFGYUZUCAWRY-ONEGZZNKSA-N
MW173.56 g/mol
LogP2.40
Rot. Bonds2

About 2-[(E)-2-chloroethenyl]-5-nitrofuran

2-[(E)-2-chloroethenyl]-5-nitrofuran (PubChem CID 127261425) has the molecular formula C6H4ClNO3 and a molecular weight of 173.56 g/mol. Its IUPAC name is 2-[(E)-2-chloroethenyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[(E)-2-chloroethenyl]-5-nitrofuran
PubChem CID127261425
Molecular FormulaC6H4ClNO3
Molecular Weight173.56 g/mol
Exact Mass172.99
IUPAC Name2-[(E)-2-chloroethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C/Cl)o1
InChIInChI=1S/C6H4ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+
InChIKeyBALFGYUZUCAWRY-ONEGZZNKSA-N
XLogP2.40
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 52.40
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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Related Compounds

2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
(E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 5356520
3-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 23274283
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroethenyl]-5-nitrofuran?
The IUPAC name of 2-[(E)-2-chloroethenyl]-5-nitrofuran (CID 127261425) is 2-[(E)-2-chloroethenyl]-5-nitrofuran.
What is the SMILES notation for 2-[(E)-2-chloroethenyl]-5-nitrofuran?
The canonical SMILES for 2-[(E)-2-chloroethenyl]-5-nitrofuran is O=[N+]([O-])c1ccc(/C=C/Cl)o1.
What is the InChIKey of 2-[(E)-2-chloroethenyl]-5-nitrofuran?
The InChIKey is BALFGYUZUCAWRY-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H4ClNO3/c7-4-3-5-1-2-6(11-5)8(9)10/h1-4H/b4-3+.
What are the key properties of 2-[(E)-2-chloroethenyl]-5-nitrofuran?
2-[(E)-2-chloroethenyl]-5-nitrofuran has a molecular weight of 173.56 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroethenyl]-5-nitrofuran is sourced from PubChem (CID 127261425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).