4-bromo-2-diazenyl-N-methylaniline

C7H8BrN3 — CID 149374593

IUPAC4-bromo-2-diazenyl-N-methylaniline
SMILES[H]/N=N/c1cc(Br)ccc1NC
InChIInChI=1S/C7H8BrN3/c1-10-6-3-2-5(8)4-7(6)11-9/h2-4,9-10H,1H3/b11-9+
InChIKeyYKMGKNCIIQWYTI-PKNBQFBNSA-N
MW214.07 g/mol
LogP3.15
Rot. Bonds2

About 4-bromo-2-diazenyl-N-methylaniline

4-bromo-2-diazenyl-N-methylaniline (PubChem CID 149374593) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 4-bromo-2-diazenyl-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-diazenyl-N-methylaniline
PubChem CID149374593
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name4-bromo-2-diazenyl-N-methylaniline
SMILES[H]/N=N/c1cc(Br)ccc1NC
InChIInChI=1S/C7H8BrN3/c1-10-6-3-2-5(8)4-7(6)11-9/h2-4,9-10H,1H3/b11-9+
InChIKeyYKMGKNCIIQWYTI-PKNBQFBNSA-N
XLogP3.15
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
3-diazenyl-4-(ethylamino)benzoic acid
CID 163431249
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
CID 143821318
4-bromo-1-N-methoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 167186750
4-bromo-2-(methylamino)benzonitrile
CID 24903089
5-bromo-N-methyl-2-phenylaniline
CID 69363671
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
CID 170716961
2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile
CID 146351585
N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
CID 625564
4-bromo-2-(methylamino)benzoic acid
CID 13384102

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-diazenyl-N-methylaniline?
The IUPAC name of 4-bromo-2-diazenyl-N-methylaniline (CID 149374593) is 4-bromo-2-diazenyl-N-methylaniline.
What is the SMILES notation for 4-bromo-2-diazenyl-N-methylaniline?
The canonical SMILES for 4-bromo-2-diazenyl-N-methylaniline is [H]/N=N/c1cc(Br)ccc1NC.
What is the InChIKey of 4-bromo-2-diazenyl-N-methylaniline?
The InChIKey is YKMGKNCIIQWYTI-PKNBQFBNSA-N. The full InChI is InChI=1S/C7H8BrN3/c1-10-6-3-2-5(8)4-7(6)11-9/h2-4,9-10H,1H3/b11-9+.
What are the key properties of 4-bromo-2-diazenyl-N-methylaniline?
4-bromo-2-diazenyl-N-methylaniline has a molecular weight of 214.07 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-diazenyl-N-methylaniline is sourced from PubChem (CID 149374593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).