2-bromo-4-fluoro-6-methoxyaniline

C7H7BrFNO — CID 58572744

IUPAC2-bromo-4-fluoro-6-methoxyaniline
SMILESCOc1cc(F)cc(Br)c1N
InChIInChI=1S/C7H7BrFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3
InChIKeyNLMMTCDRRUCXDI-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.18
Rot. Bonds1

About 2-bromo-4-fluoro-6-methoxyaniline

2-bromo-4-fluoro-6-methoxyaniline (PubChem CID 58572744) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-methoxyaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-methoxyaniline
PubChem CID58572744
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name2-bromo-4-fluoro-6-methoxyaniline
SMILESCOc1cc(F)cc(Br)c1N
InChIInChI=1S/C7H7BrFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3
InChIKeyNLMMTCDRRUCXDI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-methoxyaniline?
The IUPAC name of 2-bromo-4-fluoro-6-methoxyaniline (CID 58572744) is 2-bromo-4-fluoro-6-methoxyaniline.
What is the SMILES notation for 2-bromo-4-fluoro-6-methoxyaniline?
The canonical SMILES for 2-bromo-4-fluoro-6-methoxyaniline is COc1cc(F)cc(Br)c1N.
What is the InChIKey of 2-bromo-4-fluoro-6-methoxyaniline?
The InChIKey is NLMMTCDRRUCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,10H2,1H3.
What are the key properties of 2-bromo-4-fluoro-6-methoxyaniline?
2-bromo-4-fluoro-6-methoxyaniline has a molecular weight of 220.04 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-methoxyaniline is sourced from PubChem (CID 58572744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).