2-bromo-5-methoxypyridin-4-amine

C6H7BrN2O — CID 118851337

IUPAC2-bromo-5-methoxypyridin-4-amine
SMILESCOc1cnc(Br)cc1N
InChIInChI=1S/C6H7BrN2O/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3,(H2,8,9)
InChIKeyZMXFLZUNHINXLA-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.43
Rot. Bonds1

About 2-bromo-5-methoxypyridin-4-amine

2-bromo-5-methoxypyridin-4-amine (PubChem CID 118851337) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-bromo-5-methoxypyridin-4-amine.

Molecular Properties

Compound Name2-bromo-5-methoxypyridin-4-amine
PubChem CID118851337
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-bromo-5-methoxypyridin-4-amine
SMILESCOc1cnc(Br)cc1N
InChIInChI=1S/C6H7BrN2O/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3,(H2,8,9)
InChIKeyZMXFLZUNHINXLA-UHFFFAOYSA-N
XLogP1.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxypyridin-4-amine?
The IUPAC name of 2-bromo-5-methoxypyridin-4-amine (CID 118851337) is 2-bromo-5-methoxypyridin-4-amine.
What is the SMILES notation for 2-bromo-5-methoxypyridin-4-amine?
The canonical SMILES for 2-bromo-5-methoxypyridin-4-amine is COc1cnc(Br)cc1N.
What is the InChIKey of 2-bromo-5-methoxypyridin-4-amine?
The InChIKey is ZMXFLZUNHINXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3,(H2,8,9).
What are the key properties of 2-bromo-5-methoxypyridin-4-amine?
2-bromo-5-methoxypyridin-4-amine has a molecular weight of 203.04 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxypyridin-4-amine is sourced from PubChem (CID 118851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).