2-bromo-6-methoxy-4-methylpyridin-3-amine

C7H9BrN2O — CID 19960055

IUPAC2-bromo-6-methoxy-4-methylpyridin-3-amine
SMILESCOc1cc(C)c(N)c(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-4-3-5(11-2)10-7(8)6(4)9/h3H,9H2,1-2H3
InChIKeyVNJPRLODJVTPCJ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.74
Rot. Bonds1

About 2-bromo-6-methoxy-4-methylpyridin-3-amine

2-bromo-6-methoxy-4-methylpyridin-3-amine (PubChem CID 19960055) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-methylpyridin-3-amine
PubChem CID19960055
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-bromo-6-methoxy-4-methylpyridin-3-amine
SMILESCOc1cc(C)c(N)c(Br)n1
InChIInChI=1S/C7H9BrN2O/c1-4-3-5(11-2)10-7(8)6(4)9/h3H,9H2,1-2H3
InChIKeyVNJPRLODJVTPCJ-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 2-bromo-6-methoxy-4-methylpyridin-3-amine?
The IUPAC name of 2-bromo-6-methoxy-4-methylpyridin-3-amine (CID 19960055) is 2-bromo-6-methoxy-4-methylpyridin-3-amine.
What is the SMILES notation for 2-bromo-6-methoxy-4-methylpyridin-3-amine?
The canonical SMILES for 2-bromo-6-methoxy-4-methylpyridin-3-amine is COc1cc(C)c(N)c(Br)n1.
What is the InChIKey of 2-bromo-6-methoxy-4-methylpyridin-3-amine?
The InChIKey is VNJPRLODJVTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-4-3-5(11-2)10-7(8)6(4)9/h3H,9H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-methylpyridin-3-amine?
2-bromo-6-methoxy-4-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 2-bromo-6-methoxy-4-methylpyridin-3-amine is sourced from PubChem (CID 19960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).