6-bromo-5-methoxy-2-methylpyridin-3-amine

C7H9BrN2O — CID 130114381

IUPAC6-bromo-5-methoxy-2-methylpyridin-3-amine
SMILESCOc1cc(N)c(C)nc1Br
InChIInChI=1S/C7H9BrN2O/c1-4-5(9)3-6(11-2)7(8)10-4/h3H,9H2,1-2H3
InChIKeyYMKZWAJOQXURPV-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.74
Rot. Bonds1

About 6-bromo-5-methoxy-2-methylpyridin-3-amine

6-bromo-5-methoxy-2-methylpyridin-3-amine (PubChem CID 130114381) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 6-bromo-5-methoxy-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-methoxy-2-methylpyridin-3-amine
PubChem CID130114381
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name6-bromo-5-methoxy-2-methylpyridin-3-amine
SMILESCOc1cc(N)c(C)nc1Br
InChIInChI=1S/C7H9BrN2O/c1-4-5(9)3-6(11-2)7(8)10-4/h3H,9H2,1-2H3
InChIKeyYMKZWAJOQXURPV-UHFFFAOYSA-N
XLogP1.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.74
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 6-bromo-5-methoxy-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-5-methoxy-2-methylpyridin-3-amine (CID 130114381) is 6-bromo-5-methoxy-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-5-methoxy-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-5-methoxy-2-methylpyridin-3-amine is COc1cc(N)c(C)nc1Br.
What is the InChIKey of 6-bromo-5-methoxy-2-methylpyridin-3-amine?
The InChIKey is YMKZWAJOQXURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-4-5(9)3-6(11-2)7(8)10-4/h3H,9H2,1-2H3.
What are the key properties of 6-bromo-5-methoxy-2-methylpyridin-3-amine?
6-bromo-5-methoxy-2-methylpyridin-3-amine has a molecular weight of 217.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-2-methylpyridin-3-amine is sourced from PubChem (CID 130114381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).