3-bromo-5-nitrobenzaldehyde;methoxymethane

C9H10BrNO4 — CID 176928747

IUPAC3-bromo-5-nitrobenzaldehyde;methoxymethane
SMILESCOC.O=Cc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H4BrNO3.C2H6O/c8-6-1-5(4-10)2-7(3-6)9(11)12;1-3-2/h1-4H;1-2H3
InChIKeyRJEOARHFUUATIB-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.43
Rot. Bonds2

About 3-bromo-5-nitrobenzaldehyde;methoxymethane

3-bromo-5-nitrobenzaldehyde;methoxymethane (PubChem CID 176928747) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 3-bromo-5-nitrobenzaldehyde;methoxymethane.

Molecular Properties

Compound Name3-bromo-5-nitrobenzaldehyde;methoxymethane
PubChem CID176928747
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name3-bromo-5-nitrobenzaldehyde;methoxymethane
SMILESCOC.O=Cc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H4BrNO3.C2H6O/c8-6-1-5(4-10)2-7(3-6)9(11)12;1-3-2/h1-4H;1-2H3
InChIKeyRJEOARHFUUATIB-UHFFFAOYSA-N
XLogP2.43
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-5-nitrobenzaldehyde;methoxymethane 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

(E)-3-(3-bromo-5-nitrophenyl)-2-methylprop-2-enal
CID 91679781
3-hydroxy-5-nitrobenzaldehyde
CID 10580244
3-iodo-5-nitrobenzaldehyde
CID 71742603
(E)-3-(3-bromo-5-nitrophenyl)prop-2-en-1-ol
CID 91679783
3,5-dibromobenzaldehyde;ethane
CID 145297632
(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide
CID 91679777
3-(hydroxymethoxy)-5-nitrobenzaldehyde
CID 142809065
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
3-(4-bromobut-1-enyl)-5-nitrobenzaldehyde
CID 170498120
3-bromo-5-nitroaniline;hydrochloride
CID 112756585
1,2-bis(3-bromo-5-nitrophenyl)hydrazine
CID 176582999
3-(3-bromo-5-nitrophenoxy)-2-methoxycyclobutan-1-ol
CID 103589555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitrobenzaldehyde;methoxymethane?
The IUPAC name of 3-bromo-5-nitrobenzaldehyde;methoxymethane (CID 176928747) is 3-bromo-5-nitrobenzaldehyde;methoxymethane.
What is the SMILES notation for 3-bromo-5-nitrobenzaldehyde;methoxymethane?
The canonical SMILES for 3-bromo-5-nitrobenzaldehyde;methoxymethane is COC.O=Cc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-5-nitrobenzaldehyde;methoxymethane?
The InChIKey is RJEOARHFUUATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO3.C2H6O/c8-6-1-5(4-10)2-7(3-6)9(11)12;1-3-2/h1-4H;1-2H3.
What are the key properties of 3-bromo-5-nitrobenzaldehyde;methoxymethane?
3-bromo-5-nitrobenzaldehyde;methoxymethane has a molecular weight of 276.09 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitrobenzaldehyde;methoxymethane is sourced from PubChem (CID 176928747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).