(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone

C10H6BrNO4S — CID 65279432

IUPAC(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C10H6BrNO4S/c1-5-4-6(11)10(17-5)9(13)7-2-3-8(16-7)12(14)15/h2-4H,1H3
InChIKeyMOHZCTTWZCSPLY-UHFFFAOYSA-N
MW316.13 g/mol
LogP3.55
Rot. Bonds3

About (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone

(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone (PubChem CID 65279432) has the molecular formula C10H6BrNO4S and a molecular weight of 316.13 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone
PubChem CID65279432
Molecular FormulaC10H6BrNO4S
Molecular Weight316.13 g/mol
Exact Mass314.92
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone
SMILESCc1cc(Br)c(C(=O)c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C10H6BrNO4S/c1-5-4-6(11)10(17-5)9(13)7-2-3-8(16-7)12(14)15/h2-4H,1H3
InChIKeyMOHZCTTWZCSPLY-UHFFFAOYSA-N
XLogP3.55
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4-fluoro-2,6-dimethylphenyl)-(5-nitrofuran-2-yl)methanone
CID 106876782
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
(3-bromo-4-ethoxyphenyl)-(5-nitrofuran-2-yl)methanone
CID 104656903
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
(3,5-dimethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 81155979
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 54942261
cyclohepten-1-yl-(5-nitrofuran-2-yl)methanone
CID 55034030
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone (CID 65279432) is (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone is Cc1cc(Br)c(C(=O)c2ccc([N+](=O)[O-])o2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is MOHZCTTWZCSPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4S/c1-5-4-6(11)10(17-5)9(13)7-2-3-8(16-7)12(14)15/h2-4H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone?
(3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 316.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 65279432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).