2,6-dibromo-3-chloro-4-fluoroaniline

C6H3Br2ClFN — CID 2736480

IUPAC2,6-dibromo-3-chloro-4-fluoroaniline
SMILESNc1c(Br)cc(F)c(Cl)c1Br
InChIInChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2
InChIKeyPRZBEZGEEPNKRO-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.59
Rot. Bonds

About 2,6-dibromo-3-chloro-4-fluoroaniline

2,6-dibromo-3-chloro-4-fluoroaniline (PubChem CID 2736480) has the molecular formula C6H3Br2ClFN and a molecular weight of 303.36 g/mol. Its IUPAC name is 2,6-dibromo-3-chloro-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dibromo-3-chloro-4-fluoroaniline
PubChem CID2736480
Molecular FormulaC6H3Br2ClFN
Molecular Weight303.36 g/mol
Exact Mass300.83
IUPAC Name2,6-dibromo-3-chloro-4-fluoroaniline
SMILESNc1c(Br)cc(F)c(Cl)c1Br
InChIInChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2
InChIKeyPRZBEZGEEPNKRO-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-chloro-4-fluoroaniline?
The IUPAC name of 2,6-dibromo-3-chloro-4-fluoroaniline (CID 2736480) is 2,6-dibromo-3-chloro-4-fluoroaniline.
What is the SMILES notation for 2,6-dibromo-3-chloro-4-fluoroaniline?
The canonical SMILES for 2,6-dibromo-3-chloro-4-fluoroaniline is Nc1c(Br)cc(F)c(Cl)c1Br.
What is the InChIKey of 2,6-dibromo-3-chloro-4-fluoroaniline?
The InChIKey is PRZBEZGEEPNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2.
What are the key properties of 2,6-dibromo-3-chloro-4-fluoroaniline?
2,6-dibromo-3-chloro-4-fluoroaniline has a molecular weight of 303.36 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-chloro-4-fluoroaniline is sourced from PubChem (CID 2736480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).