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

C11H8BrNO3 — CID 168525004

IUPAC2-(4-bromo-2-methyl-5-nitrophenyl)furan
SMILESCc1cc(Br)c([N+](=O)[O-])cc1-c1ccco1
InChIInChI=1S/C11H8BrNO3/c1-7-5-9(12)10(13(14)15)6-8(7)11-3-2-4-16-11/h2-6H,1H3
InChIKeyLXSPJNLDPBZQEA-UHFFFAOYSA-N
MW282.09 g/mol
LogP3.93
Rot. Bonds2

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

2-(4-bromo-2-methyl-5-nitrophenyl)furan (PubChem CID 168525004) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-5-nitrophenyl)furan.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-5-nitrophenyl)furan
PubChem CID168525004
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-(4-bromo-2-methyl-5-nitrophenyl)furan
SMILESCc1cc(Br)c([N+](=O)[O-])cc1-c1ccco1
InChIInChI=1S/C11H8BrNO3/c1-7-5-9(12)10(13(14)15)6-8(7)11-3-2-4-16-11/h2-6H,1H3
InChIKeyLXSPJNLDPBZQEA-UHFFFAOYSA-N
XLogP3.93
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 53.93
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-(4-bromo-2-methyl-5-nitrophenyl)furan?
The IUPAC name of 2-(4-bromo-2-methyl-5-nitrophenyl)furan (CID 168525004) is 2-(4-bromo-2-methyl-5-nitrophenyl)furan.
What is the SMILES notation for 2-(4-bromo-2-methyl-5-nitrophenyl)furan?
The canonical SMILES for 2-(4-bromo-2-methyl-5-nitrophenyl)furan is Cc1cc(Br)c([N+](=O)[O-])cc1-c1ccco1.
What is the InChIKey of 2-(4-bromo-2-methyl-5-nitrophenyl)furan?
The InChIKey is LXSPJNLDPBZQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-7-5-9(12)10(13(14)15)6-8(7)11-3-2-4-16-11/h2-6H,1H3.
What are the key properties of 2-(4-bromo-2-methyl-5-nitrophenyl)furan?
2-(4-bromo-2-methyl-5-nitrophenyl)furan has a molecular weight of 282.09 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-5-nitrophenyl)furan is sourced from PubChem (CID 168525004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).