6-bromo-4-methoxy-N-methylpyridin-2-amine

C7H9BrN2O — CID 133061275

IUPAC6-bromo-4-methoxy-N-methylpyridin-2-amine
SMILESCNc1cc(OC)cc(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-9-7-4-5(11-2)3-6(8)10-7/h3-4H,1-2H3,(H,9,10)
InChIKeyRJZISOWPELCJCN-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.89
Rot. Bonds2

About 6-bromo-4-methoxy-N-methylpyridin-2-amine

6-bromo-4-methoxy-N-methylpyridin-2-amine (PubChem CID 133061275) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 6-bromo-4-methoxy-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-methoxy-N-methylpyridin-2-amine
PubChem CID133061275
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name6-bromo-4-methoxy-N-methylpyridin-2-amine
SMILESCNc1cc(OC)cc(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-9-7-4-5(11-2)3-6(8)10-7/h3-4H,1-2H3,(H,9,10)
InChIKeyRJZISOWPELCJCN-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.89
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-4-methoxy-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-4-methoxy-N-methylpyridin-2-amine (CID 133061275) is 6-bromo-4-methoxy-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-4-methoxy-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-4-methoxy-N-methylpyridin-2-amine is CNc1cc(OC)cc(Br)n1.
What is the InChIKey of 6-bromo-4-methoxy-N-methylpyridin-2-amine?
The InChIKey is RJZISOWPELCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-9-7-4-5(11-2)3-6(8)10-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of 6-bromo-4-methoxy-N-methylpyridin-2-amine?
6-bromo-4-methoxy-N-methylpyridin-2-amine has a molecular weight of 217.07 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-N-methylpyridin-2-amine is sourced from PubChem (CID 133061275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).