5-bromo-6-fluoro-3-methoxypyridin-2-amine

C6H6BrFN2O — CID 135201063

IUPAC5-bromo-6-fluoro-3-methoxypyridin-2-amine
SMILESCOc1cc(Br)c(F)nc1N
InChIInChI=1S/C6H6BrFN2O/c1-11-4-2-3(7)5(8)10-6(4)9/h2H,1H3,(H2,9,10)
InChIKeyJGTNJMWHAJSHHP-UHFFFAOYSA-N
MW221.03 g/mol
LogP1.57
Rot. Bonds1

About 5-bromo-6-fluoro-3-methoxypyridin-2-amine

5-bromo-6-fluoro-3-methoxypyridin-2-amine (PubChem CID 135201063) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-3-methoxypyridin-2-amine
PubChem CID135201063
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name5-bromo-6-fluoro-3-methoxypyridin-2-amine
SMILESCOc1cc(Br)c(F)nc1N
InChIInChI=1S/C6H6BrFN2O/c1-11-4-2-3(7)5(8)10-6(4)9/h2H,1H3,(H2,9,10)
InChIKeyJGTNJMWHAJSHHP-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 51.57
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 5-bromo-6-fluoro-3-methoxypyridin-2-amine?
The IUPAC name of 5-bromo-6-fluoro-3-methoxypyridin-2-amine (CID 135201063) is 5-bromo-6-fluoro-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-3-methoxypyridin-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-3-methoxypyridin-2-amine is COc1cc(Br)c(F)nc1N.
What is the InChIKey of 5-bromo-6-fluoro-3-methoxypyridin-2-amine?
The InChIKey is JGTNJMWHAJSHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c1-11-4-2-3(7)5(8)10-6(4)9/h2H,1H3,(H2,9,10).
What are the key properties of 5-bromo-6-fluoro-3-methoxypyridin-2-amine?
5-bromo-6-fluoro-3-methoxypyridin-2-amine has a molecular weight of 221.03 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3-methoxypyridin-2-amine is sourced from PubChem (CID 135201063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).