N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide

C7H6BrN3O3 — CID 131861820

IUPACN-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c1-10(9-12)6-3-2-5(8)4-7(6)11(13)14/h2-4H,1H3
InChIKeyFDBCCYUNCHYAJO-UHFFFAOYSA-N
MW260.05 g/mol
LogP2.47
Rot. Bonds3

About N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide

N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide (PubChem CID 131861820) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
PubChem CID131861820
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC NameN-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
SMILESCN(N=O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrN3O3/c1-10(9-12)6-3-2-5(8)4-7(6)11(13)14/h2-4H,1H3
InChIKeyFDBCCYUNCHYAJO-UHFFFAOYSA-N
XLogP2.47
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-2-nitrophenyl]-N-methylnitrous amide
CID 102119434
4-bromo-N-methyl-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 63463016
4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
CID 175624339
4-bromo-N-(2,2-dimethylpropyl)-N-methyl-2-nitroaniline
CID 63463828
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
(2R)-2-(4-bromo-N-methyl-2-nitroanilino)propan-1-ol
CID 97020173
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-2-nitroaniline
CID 63462025
4-bromo-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 65488505
4-bromo-N-methyl-2-nitro-N-(pyridin-4-ylmethyl)aniline
CID 60724776
4-bromo-N,N-bis(2-methoxyethyl)-2-nitroaniline
CID 60647488
N'-(4-bromo-2-nitrophenyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63462031
N-(5-bromo-2-nitrophenyl)-N-methylmethanesulfinamide
CID 142334328

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide (CID 131861820) is N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide is CN(N=O)c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide?
The InChIKey is FDBCCYUNCHYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c1-10(9-12)6-3-2-5(8)4-7(6)11(13)14/h2-4H,1H3.
What are the key properties of N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide?
N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide has a molecular weight of 260.05 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide is sourced from PubChem (CID 131861820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).