3-bromo-2,4,6-trichloroaniline

C6H3BrCl3N — CID 14898479

IUPAC3-bromo-2,4,6-trichloroaniline
SMILESNc1c(Cl)cc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H3BrCl3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2
InChIKeyJGCNVHHYSUWLNT-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.99
Rot. Bonds

About 3-bromo-2,4,6-trichloroaniline

3-bromo-2,4,6-trichloroaniline (PubChem CID 14898479) has the molecular formula C6H3BrCl3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-bromo-2,4,6-trichloroaniline.

Molecular Properties

Compound Name3-bromo-2,4,6-trichloroaniline
PubChem CID14898479
Molecular FormulaC6H3BrCl3N
Molecular Weight275.36 g/mol
Exact Mass272.85
IUPAC Name3-bromo-2,4,6-trichloroaniline
SMILESNc1c(Cl)cc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H3BrCl3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2
InChIKeyJGCNVHHYSUWLNT-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-3,5-dichloroaniline
CID 26599169
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
2-(4-amino-2-bromo-3,5-dichlorophenyl)ethanol
CID 141473932
2,4,6-trichloro-3-fluoroaniline
CID 155973401
3-bromo-4,5-dichlorobenzene-1,2-diamine
CID 10848635
2-bromo-6-chloro-3,4-difluoroaniline
CID 122402925
2,4-dibromo-6-chloroaniline
CID 4295982
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione
CID 13162759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,6-trichloroaniline?
The IUPAC name of 3-bromo-2,4,6-trichloroaniline (CID 14898479) is 3-bromo-2,4,6-trichloroaniline.
What is the SMILES notation for 3-bromo-2,4,6-trichloroaniline?
The canonical SMILES for 3-bromo-2,4,6-trichloroaniline is Nc1c(Cl)cc(Cl)c(Br)c1Cl.
What is the InChIKey of 3-bromo-2,4,6-trichloroaniline?
The InChIKey is JGCNVHHYSUWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2.
What are the key properties of 3-bromo-2,4,6-trichloroaniline?
3-bromo-2,4,6-trichloroaniline has a molecular weight of 275.36 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,6-trichloroaniline is sourced from PubChem (CID 14898479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).