5-(3-bromophenyl)-2-chloroaniline

C12H9BrClN — CID 115503808

IUPAC5-(3-bromophenyl)-2-chloroaniline
SMILESNc1cc(-c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C12H9BrClN/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,15H2
InChIKeyGUOBHGVYKMEFBE-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.35
Rot. Bonds1

About 5-(3-bromophenyl)-2-chloroaniline

5-(3-bromophenyl)-2-chloroaniline (PubChem CID 115503808) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-chloroaniline.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-chloroaniline
PubChem CID115503808
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name5-(3-bromophenyl)-2-chloroaniline
SMILESNc1cc(-c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C12H9BrClN/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,15H2
InChIKeyGUOBHGVYKMEFBE-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.35
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

1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
5-(3-bromophenyl)-2-methoxyaniline
CID 115503810
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
1-bromo-3-phenylbenzene
CID 16449
5-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-chloroaniline
CID 82568732
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
1-bromo-3-phenylbenzene;ethane
CID 163977967
1-(3-bromophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 88865397
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
1-bromo-3-[4-[4-(3-bromophenyl)phenyl]sulfanylphenyl]benzene
CID 68581220
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-chloroaniline?
The IUPAC name of 5-(3-bromophenyl)-2-chloroaniline (CID 115503808) is 5-(3-bromophenyl)-2-chloroaniline.
What is the SMILES notation for 5-(3-bromophenyl)-2-chloroaniline?
The canonical SMILES for 5-(3-bromophenyl)-2-chloroaniline is Nc1cc(-c2cccc(Br)c2)ccc1Cl.
What is the InChIKey of 5-(3-bromophenyl)-2-chloroaniline?
The InChIKey is GUOBHGVYKMEFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,15H2.
What are the key properties of 5-(3-bromophenyl)-2-chloroaniline?
5-(3-bromophenyl)-2-chloroaniline has a molecular weight of 282.57 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-chloroaniline is sourced from PubChem (CID 115503808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).