2,3-dibromoaniline;hydrochloride

C6H6Br2ClN — CID 140969535

IUPAC2,3-dibromoaniline;hydrochloride
SMILESCl.Nc1cccc(Br)c1Br
InChIInChI=1S/C6H5Br2N.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3H,9H2;1H
InChIKeyCLPBMEJNLZUMAM-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.22
Rot. Bonds

About 2,3-dibromoaniline;hydrochloride

2,3-dibromoaniline;hydrochloride (PubChem CID 140969535) has the molecular formula C6H6Br2ClN and a molecular weight of 287.38 g/mol. Its IUPAC name is 2,3-dibromoaniline;hydrochloride.

Molecular Properties

Compound Name2,3-dibromoaniline;hydrochloride
PubChem CID140969535
Molecular FormulaC6H6Br2ClN
Molecular Weight287.38 g/mol
Exact Mass284.86
IUPAC Name2,3-dibromoaniline;hydrochloride
SMILESCl.Nc1cccc(Br)c1Br
InChIInChI=1S/C6H5Br2N.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3H,9H2;1H
InChIKeyCLPBMEJNLZUMAM-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-bromophenyl)-3-bromoaniline
CID 14024662
2-bromoaniline
CID 162048621
2-bromo-3-iodoaniline
CID 91873763
2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine
CID 175091393
3-bromo-2-thionitrosoaniline
CID 147075199
2-amino-6-bromobenzoic acid
CID 10560649
2-(2-amino-6-bromophenyl)-3-chloroaniline
CID 155477567
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
3-amino-2-bromo-N-methylbenzamide
CID 100681188
(2,3-dibromophenyl)methylhydrazine;hydrochloride
CID 135397409
2-amino-6-bromo-N-methylbenzohydrazide;ethane
CID 145124987
3-bromo-2-N-tert-butylbenzene-1,2-diamine
CID 10490397

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoaniline;hydrochloride?
The IUPAC name of 2,3-dibromoaniline;hydrochloride (CID 140969535) is 2,3-dibromoaniline;hydrochloride.
What is the SMILES notation for 2,3-dibromoaniline;hydrochloride?
The canonical SMILES for 2,3-dibromoaniline;hydrochloride is Cl.Nc1cccc(Br)c1Br.
What is the InChIKey of 2,3-dibromoaniline;hydrochloride?
The InChIKey is CLPBMEJNLZUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N.ClH/c7-4-2-1-3-5(9)6(4)8;/h1-3H,9H2;1H.
What are the key properties of 2,3-dibromoaniline;hydrochloride?
2,3-dibromoaniline;hydrochloride has a molecular weight of 287.38 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoaniline;hydrochloride is sourced from PubChem (CID 140969535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).