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

C6H4BrClFNO — CID 170170778

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

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

6-amino-4-bromo-2-chloro-3-fluorophenol (PubChem CID 170170778) has the molecular formula C6H4BrClFNO and a molecular weight of 240.46 g/mol. Its IUPAC name is 6-amino-4-bromo-2-chloro-3-fluorophenol.

Molecular Properties

Compound Name6-amino-4-bromo-2-chloro-3-fluorophenol
PubChem CID170170778
Molecular FormulaC6H4BrClFNO
Molecular Weight240.46 g/mol
Exact Mass238.91
IUPAC Name6-amino-4-bromo-2-chloro-3-fluorophenol
SMILESNc1cc(Br)c(F)c(Cl)c1O
InChIInChI=1S/C6H4BrClFNO/c7-2-1-3(10)6(11)4(8)5(2)9/h1,11H,10H2
InChIKeyQFDAWDYBZUUOIF-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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Related Compounds

6-amino-3-bromo-2-chloro-4-fluorophenol
CID 170170762
5-amino-3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 84673726
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
2-amino-6-chloro-4-fluorophenol
CID 11275173
5-bromo-3,4-difluoro-2-iodoaniline
CID 171518505
6-amino-2,3,4-trifluorophenol
CID 19957203
2-amino-4,6-dibromophenol;hydrochloride
CID 3063405
2,5-dibromo-3,6-difluorophenol
CID 118990727
3-bromo-4-chloro-5-fluoroaniline
CID 131585188

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-bromo-2-chloro-3-fluorophenol?
The IUPAC name of 6-amino-4-bromo-2-chloro-3-fluorophenol (CID 170170778) is 6-amino-4-bromo-2-chloro-3-fluorophenol.
What is the SMILES notation for 6-amino-4-bromo-2-chloro-3-fluorophenol?
The canonical SMILES for 6-amino-4-bromo-2-chloro-3-fluorophenol is Nc1cc(Br)c(F)c(Cl)c1O.
What is the InChIKey of 6-amino-4-bromo-2-chloro-3-fluorophenol?
The InChIKey is QFDAWDYBZUUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO/c7-2-1-3(10)6(11)4(8)5(2)9/h1,11H,10H2.
What are the key properties of 6-amino-4-bromo-2-chloro-3-fluorophenol?
6-amino-4-bromo-2-chloro-3-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-4-bromo-2-chloro-3-fluorophenol is sourced from PubChem (CID 170170778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).