sodium;4-bromo-1-methyl-2-nitrobenzene;hydride

C7H7BrNNaO2 — CID 174661083

IUPACsodium;4-bromo-1-methyl-2-nitrobenzene;hydride
SMILESCc1ccc(Br)cc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H6BrNO2.Na.H/c1-5-2-3-6(8)4-7(5)9(10)11;;/h2-4H,1H3;;/q;+1;-1
InChIKeyFQGCNLSPXZKWKL-UHFFFAOYSA-N
MW240.03 g/mol
LogP-0.22
Rot. Bonds1

About sodium;4-bromo-1-methyl-2-nitrobenzene;hydride

sodium;4-bromo-1-methyl-2-nitrobenzene;hydride (PubChem CID 174661083) has the molecular formula C7H7BrNNaO2 and a molecular weight of 240.03 g/mol. Its IUPAC name is sodium;4-bromo-1-methyl-2-nitrobenzene;hydride.

Molecular Properties

Compound Namesodium;4-bromo-1-methyl-2-nitrobenzene;hydride
PubChem CID174661083
Molecular FormulaC7H7BrNNaO2
Molecular Weight240.03 g/mol
Exact Mass238.96
IUPAC Namesodium;4-bromo-1-methyl-2-nitrobenzene;hydride
SMILESCc1ccc(Br)cc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H6BrNO2.Na.H/c1-5-2-3-6(8)4-7(5)9(10)11;;/h2-4H,1H3;;/q;+1;-1
InChIKeyFQGCNLSPXZKWKL-UHFFFAOYSA-N
XLogP-0.22
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.03
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;4-bromo-1-methyl-2-nitrobenzene;hydride 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

5-bromo-N-(4-bromo-2-nitrophenyl)-2-methylaniline
CID 63464457
1,4-dimethyl-2-nitrobenzene
CID 20849377
5-bromo-2-methylpyridin-1-ium-1-amine;1-methyl-2,4-dinitrobenzene
CID 159852503
4-bromo-1-methyl-2-nitrobenzene;6-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-2,3-dihydro-1,4-benzodioxine
CID 158871211
4-bromo-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 43094676
2,4-dibromo-N-[(4-methyl-3-nitrophenyl)methyl]aniline
CID 43780849
4-methyl-3-nitrophenol
CID 16271
N-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
N-(4-bromo-2-nitrophenyl)-5-iodo-2-methylaniline
CID 114257963
2-bromo-5-(4-bromo-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724090
4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
N-(4-bromo-2-nitrophenyl)-2,4,6-trimethylaniline
CID 63462521

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-1-methyl-2-nitrobenzene;hydride?
The IUPAC name of sodium;4-bromo-1-methyl-2-nitrobenzene;hydride (CID 174661083) is sodium;4-bromo-1-methyl-2-nitrobenzene;hydride.
What is the SMILES notation for sodium;4-bromo-1-methyl-2-nitrobenzene;hydride?
The canonical SMILES for sodium;4-bromo-1-methyl-2-nitrobenzene;hydride is Cc1ccc(Br)cc1[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;4-bromo-1-methyl-2-nitrobenzene;hydride?
The InChIKey is FQGCNLSPXZKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2.Na.H/c1-5-2-3-6(8)4-7(5)9(10)11;;/h2-4H,1H3;;/q;+1;-1.
What are the key properties of sodium;4-bromo-1-methyl-2-nitrobenzene;hydride?
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride has a molecular weight of 240.03 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-bromo-1-methyl-2-nitrobenzene;hydride is sourced from PubChem (CID 174661083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).