2-bromo-5-(2-methoxy-4-nitrophenyl)furan

C11H8BrNO4 — CID 134092642

IUPAC2-bromo-5-(2-methoxy-4-nitrophenyl)furan
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4/c1-16-10-6-7(13(14)15)2-3-8(10)9-4-5-11(12)17-9/h2-6H,1H3
InChIKeyFYAFJVNCNHDDCQ-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.63
Rot. Bonds3

About 2-bromo-5-(2-methoxy-4-nitrophenyl)furan

2-bromo-5-(2-methoxy-4-nitrophenyl)furan (PubChem CID 134092642) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxy-4-nitrophenyl)furan.

Molecular Properties

Compound Name2-bromo-5-(2-methoxy-4-nitrophenyl)furan
PubChem CID134092642
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name2-bromo-5-(2-methoxy-4-nitrophenyl)furan
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4/c1-16-10-6-7(13(14)15)2-3-8(10)9-4-5-11(12)17-9/h2-6H,1H3
InChIKeyFYAFJVNCNHDDCQ-UHFFFAOYSA-N
XLogP3.63
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
1-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]propan-2-one
CID 63086137
5-(2-methoxy-4-nitrophenyl)-N,N-dimethylfuran-2-carbothioamide
CID 51983792
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-dioxane-4,6-dione
CID 21212643
1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 37420801
2-(4-chlorophenyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2951729
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxy-4-nitrophenyl)furan?
The IUPAC name of 2-bromo-5-(2-methoxy-4-nitrophenyl)furan (CID 134092642) is 2-bromo-5-(2-methoxy-4-nitrophenyl)furan.
What is the SMILES notation for 2-bromo-5-(2-methoxy-4-nitrophenyl)furan?
The canonical SMILES for 2-bromo-5-(2-methoxy-4-nitrophenyl)furan is COc1cc([N+](=O)[O-])ccc1-c1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-(2-methoxy-4-nitrophenyl)furan?
The InChIKey is FYAFJVNCNHDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-16-10-6-7(13(14)15)2-3-8(10)9-4-5-11(12)17-9/h2-6H,1H3.
What are the key properties of 2-bromo-5-(2-methoxy-4-nitrophenyl)furan?
2-bromo-5-(2-methoxy-4-nitrophenyl)furan has a molecular weight of 298.09 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxy-4-nitrophenyl)furan is sourced from PubChem (CID 134092642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).