2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan

C12H9BrClNO3 — CID 63017384

IUPAC2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan
SMILESO=[N+]([O-])c1ccccc1CC(Cl)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO3/c13-12-6-5-11(18-12)9(14)7-8-3-1-2-4-10(8)15(16)17/h1-6,9H,7H2
InChIKeyRCDFQFVUIKLOKD-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.47
Rot. Bonds4

About 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan

2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan (PubChem CID 63017384) has the molecular formula C12H9BrClNO3 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan
PubChem CID63017384
Molecular FormulaC12H9BrClNO3
Molecular Weight330.56 g/mol
Exact Mass328.95
IUPAC Name2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan
SMILESO=[N+]([O-])c1ccccc1CC(Cl)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO3/c13-12-6-5-11(18-12)9(14)7-8-3-1-2-4-10(8)15(16)17/h1-6,9H,7H2
InChIKeyRCDFQFVUIKLOKD-UHFFFAOYSA-N
XLogP4.47
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-chloro-2-(2-nitrophenyl)ethyl]-5-ethylfuran
CID 79083955
1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
CID 63519874
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
1-[1-chloro-2-(2-nitrophenyl)ethyl]-2,3-difluorobenzene
CID 63017760
1-(2-chloro-3-methoxypropyl)-2-nitrobenzene
CID 63205567
2-chloro-1-[1-chloro-2-(2-nitrophenyl)ethyl]-4-methylbenzene
CID 106863723
4-bromo-2-(2-chloro-2-phenylethyl)-1-nitrobenzene
CID 65342405
(2-nitrophenyl)methanol
CID 11923
1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 107955229
1-[2-bromo-2-(3-chlorophenyl)ethyl]-2-nitrobenzene
CID 63542749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan?
The IUPAC name of 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan (CID 63017384) is 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan.
What is the SMILES notation for 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan?
The canonical SMILES for 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan is O=[N+]([O-])c1ccccc1CC(Cl)c1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan?
The InChIKey is RCDFQFVUIKLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3/c13-12-6-5-11(18-12)9(14)7-8-3-1-2-4-10(8)15(16)17/h1-6,9H,7H2.
What are the key properties of 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan?
2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan has a molecular weight of 330.56 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan is sourced from PubChem (CID 63017384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).