6-amino-3-bromo-2-chloro-4-fluorophenol

C6H4BrClFNO — CID 170170762

IUPAC6-amino-3-bromo-2-chloro-4-fluorophenol
SMILESNc1cc(F)c(Br)c(Cl)c1O
InChIInChI=1S/C6H4BrClFNO/c7-4-2(9)1-3(10)6(11)5(4)8/h1,11H,10H2
InChIKeyFLAITPTWKJOKFY-UHFFFAOYSA-N
MW240.46 g/mol
LogP2.53
Rot. Bonds

About 6-amino-3-bromo-2-chloro-4-fluorophenol

6-amino-3-bromo-2-chloro-4-fluorophenol (PubChem CID 170170762) has the molecular formula C6H4BrClFNO and a molecular weight of 240.46 g/mol. Its IUPAC name is 6-amino-3-bromo-2-chloro-4-fluorophenol.

Molecular Properties

Compound Name6-amino-3-bromo-2-chloro-4-fluorophenol
PubChem CID170170762
Molecular FormulaC6H4BrClFNO
Molecular Weight240.46 g/mol
Exact Mass238.91
IUPAC Name6-amino-3-bromo-2-chloro-4-fluorophenol
SMILESNc1cc(F)c(Br)c(Cl)c1O
InChIInChI=1S/C6H4BrClFNO/c7-4-2(9)1-3(10)6(11)5(4)8/h1,11H,10H2
InChIKeyFLAITPTWKJOKFY-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-chloro-4-fluorophenol?
The IUPAC name of 6-amino-3-bromo-2-chloro-4-fluorophenol (CID 170170762) is 6-amino-3-bromo-2-chloro-4-fluorophenol.
What is the SMILES notation for 6-amino-3-bromo-2-chloro-4-fluorophenol?
The canonical SMILES for 6-amino-3-bromo-2-chloro-4-fluorophenol is Nc1cc(F)c(Br)c(Cl)c1O.
What is the InChIKey of 6-amino-3-bromo-2-chloro-4-fluorophenol?
The InChIKey is FLAITPTWKJOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO/c7-4-2(9)1-3(10)6(11)5(4)8/h1,11H,10H2.
What are the key properties of 6-amino-3-bromo-2-chloro-4-fluorophenol?
6-amino-3-bromo-2-chloro-4-fluorophenol has a molecular weight of 240.46 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-2-chloro-4-fluorophenol is sourced from PubChem (CID 170170762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).