2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene

C11H7Br2NO3S — CID 81499595

IUPAC2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1ccc(Br)s1
InChIInChI=1S/C11H7Br2NO3S/c12-8-2-1-3-9(14(15)16)11(8)17-6-7-4-5-10(13)18-7/h1-5H,6H2
InChIKeyBCYPPKGDTGFJGK-UHFFFAOYSA-N
MW393.06 g/mol
LogP4.76
Rot. Bonds4

About 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene

2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene (PubChem CID 81499595) has the molecular formula C11H7Br2NO3S and a molecular weight of 393.06 g/mol. Its IUPAC name is 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
PubChem CID81499595
Molecular FormulaC11H7Br2NO3S
Molecular Weight393.06 g/mol
Exact Mass390.85
IUPAC Name2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
SMILESO=[N+]([O-])c1cccc(Br)c1OCc1ccc(Br)s1
InChIInChI=1S/C11H7Br2NO3S/c12-8-2-1-3-9(14(15)16)11(8)17-6-7-4-5-10(13)18-7/h1-5H,6H2
InChIKeyBCYPPKGDTGFJGK-UHFFFAOYSA-N
XLogP4.76
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 54.76
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'}

Analyze 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[(2-bromo-6-nitrophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 81496197
2-bromo-5-[(4-nitronaphthalen-1-yl)oxymethyl]thiophene
CID 63691873
2-bromo-5-[(2-methyl-3-nitrophenoxy)methyl]thiophene
CID 47214173
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
9-(2-bromo-6-nitrophenoxy)nonane-1-thiol
CID 105344500
2-bromo-5-[(4-methyl-3-nitrophenoxy)methyl]thiophene
CID 114252570
2-bromo-5-[(2,5-dimethyl-4-nitrophenoxy)methyl]thiophene
CID 55192236
2-bromo-5-[(3-methyl-2-nitrophenoxy)methyl]thiophene
CID 54942329
(1R)-1-[5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-nitrophenyl]ethanol
CID 104890659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene?
The IUPAC name of 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene (CID 81499595) is 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene is O=[N+]([O-])c1cccc(Br)c1OCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene?
The InChIKey is BCYPPKGDTGFJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3S/c12-8-2-1-3-9(14(15)16)11(8)17-6-7-4-5-10(13)18-7/h1-5H,6H2.
What are the key properties of 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene?
2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene has a molecular weight of 393.06 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene is sourced from PubChem (CID 81499595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).