2-bromo-3-methoxyaniline

C7H8BrNO — CID 10910575

IUPAC2-bromo-3-methoxyaniline
SMILESCOc1cccc(N)c1Br
InChIInChI=1S/C7H8BrNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3
InChIKeyTUNIZJPEKHLBPR-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.04
Rot. Bonds1

About 2-bromo-3-methoxyaniline

2-bromo-3-methoxyaniline (PubChem CID 10910575) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-3-methoxyaniline.

Molecular Properties

Compound Name2-bromo-3-methoxyaniline
PubChem CID10910575
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-3-methoxyaniline
SMILESCOc1cccc(N)c1Br
InChIInChI=1S/C7H8BrNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3
InChIKeyTUNIZJPEKHLBPR-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.04
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-3-methoxyaniline?
The IUPAC name of 2-bromo-3-methoxyaniline (CID 10910575) is 2-bromo-3-methoxyaniline.
What is the SMILES notation for 2-bromo-3-methoxyaniline?
The canonical SMILES for 2-bromo-3-methoxyaniline is COc1cccc(N)c1Br.
What is the InChIKey of 2-bromo-3-methoxyaniline?
The InChIKey is TUNIZJPEKHLBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3.
What are the key properties of 2-bromo-3-methoxyaniline?
2-bromo-3-methoxyaniline has a molecular weight of 202.05 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxyaniline is sourced from PubChem (CID 10910575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).