3-bromo-5-fluoro-2-methoxyaniline;hydrochloride

C7H8BrClFNO — CID 74889930

IUPAC3-bromo-5-fluoro-2-methoxyaniline;hydrochloride
SMILESCOc1c(N)cc(F)cc1Br.Cl
InChIInChI=1S/C7H7BrFNO.ClH/c1-11-7-5(8)2-4(9)3-6(7)10;/h2-3H,10H2,1H3;1H
InChIKeyTVPUTJVNIWZNDO-UHFFFAOYSA-N
MW256.50 g/mol
LogP2.60
Rot. Bonds1

About 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride

3-bromo-5-fluoro-2-methoxyaniline;hydrochloride (PubChem CID 74889930) has the molecular formula C7H8BrClFNO and a molecular weight of 256.50 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methoxyaniline;hydrochloride
PubChem CID74889930
Molecular FormulaC7H8BrClFNO
Molecular Weight256.50 g/mol
Exact Mass254.95
IUPAC Name3-bromo-5-fluoro-2-methoxyaniline;hydrochloride
SMILESCOc1c(N)cc(F)cc1Br.Cl
InChIInChI=1S/C7H7BrFNO.ClH/c1-11-7-5(8)2-4(9)3-6(7)10;/h2-3H,10H2,1H3;1H
InChIKeyTVPUTJVNIWZNDO-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.50
LogP ≤ 52.60
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 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride?
The IUPAC name of 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride (CID 74889930) is 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride.
What is the SMILES notation for 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride?
The canonical SMILES for 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride is COc1c(N)cc(F)cc1Br.Cl.
What is the InChIKey of 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride?
The InChIKey is TVPUTJVNIWZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO.ClH/c1-11-7-5(8)2-4(9)3-6(7)10;/h2-3H,10H2,1H3;1H.
What are the key properties of 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride?
3-bromo-5-fluoro-2-methoxyaniline;hydrochloride has a molecular weight of 256.50 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-methoxyaniline;hydrochloride is sourced from PubChem (CID 74889930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).