[4-bromo-2-(methylamino)phenyl]-hydroxyazanium

C7H10BrN2O+ — CID 170716961

IUPAC[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
SMILESCNc1cc(Br)ccc1[NH2+]O
InChIInChI=1S/C7H9BrN2O/c1-9-7-4-5(8)2-3-6(7)10-11/h2-4,9-11H,1H3/p+1
InChIKeyJSWOBNCYVLRAEB-UHFFFAOYSA-O
MW218.07 g/mol
LogP1.07
Rot. Bonds2

About [4-bromo-2-(methylamino)phenyl]-hydroxyazanium

[4-bromo-2-(methylamino)phenyl]-hydroxyazanium (PubChem CID 170716961) has the molecular formula C7H10BrN2O+ and a molecular weight of 218.07 g/mol. Its IUPAC name is [4-bromo-2-(methylamino)phenyl]-hydroxyazanium.

Molecular Properties

Compound Name[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
PubChem CID170716961
Molecular FormulaC7H10BrN2O+
Molecular Weight218.07 g/mol
Exact Mass217.00
IUPAC Name[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
SMILESCNc1cc(Br)ccc1[NH2+]O
InChIInChI=1S/C7H9BrN2O/c1-9-7-4-5(8)2-3-6(7)10-11/h2-4,9-11H,1H3/p+1
InChIKeyJSWOBNCYVLRAEB-UHFFFAOYSA-O
XLogP1.07
TPSA48.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(methylamino)benzoic acid
CID 13384102
4-bromo-2-(methylamino)benzonitrile
CID 24903089
5-bromo-N-methyl-2-phenylaniline
CID 69363671
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
(Z)-2-[5-bromo-2-(methylamino)phenyl]but-2-enal;ethane
CID 143263053
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline
CID 176944948
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
4-bromo-1-N-methoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 167186750
2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
CID 143821318
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
(5-bromo-2-formylphenyl)-hydroxyazanium
CID 169112792

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(methylamino)phenyl]-hydroxyazanium?
The IUPAC name of [4-bromo-2-(methylamino)phenyl]-hydroxyazanium (CID 170716961) is [4-bromo-2-(methylamino)phenyl]-hydroxyazanium.
What is the SMILES notation for [4-bromo-2-(methylamino)phenyl]-hydroxyazanium?
The canonical SMILES for [4-bromo-2-(methylamino)phenyl]-hydroxyazanium is CNc1cc(Br)ccc1[NH2+]O.
What is the InChIKey of [4-bromo-2-(methylamino)phenyl]-hydroxyazanium?
The InChIKey is JSWOBNCYVLRAEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9BrN2O/c1-9-7-4-5(8)2-3-6(7)10-11/h2-4,9-11H,1H3/p+1.
What are the key properties of [4-bromo-2-(methylamino)phenyl]-hydroxyazanium?
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium has a molecular weight of 218.07 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(methylamino)phenyl]-hydroxyazanium is sourced from PubChem (CID 170716961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).