2-bromo-3-methoxy-4,6-dimethylpyridine

C8H10BrNO — CID 46177892

IUPAC2-bromo-3-methoxy-4,6-dimethylpyridine
SMILESCOc1c(C)cc(C)nc1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-6(2)10-8(9)7(5)11-3/h4H,1-3H3
InChIKeySVJYUAVDCCGIHA-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-3-methoxy-4,6-dimethylpyridine

2-bromo-3-methoxy-4,6-dimethylpyridine (PubChem CID 46177892) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-3-methoxy-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-bromo-3-methoxy-4,6-dimethylpyridine
PubChem CID46177892
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-bromo-3-methoxy-4,6-dimethylpyridine
SMILESCOc1c(C)cc(C)nc1Br
InChIInChI=1S/C8H10BrNO/c1-5-4-6(2)10-8(9)7(5)11-3/h4H,1-3H3
InChIKeySVJYUAVDCCGIHA-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-methoxy-4,6-dimethylpyridine?
The IUPAC name of 2-bromo-3-methoxy-4,6-dimethylpyridine (CID 46177892) is 2-bromo-3-methoxy-4,6-dimethylpyridine.
What is the SMILES notation for 2-bromo-3-methoxy-4,6-dimethylpyridine?
The canonical SMILES for 2-bromo-3-methoxy-4,6-dimethylpyridine is COc1c(C)cc(C)nc1Br.
What is the InChIKey of 2-bromo-3-methoxy-4,6-dimethylpyridine?
The InChIKey is SVJYUAVDCCGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-4-6(2)10-8(9)7(5)11-3/h4H,1-3H3.
What are the key properties of 2-bromo-3-methoxy-4,6-dimethylpyridine?
2-bromo-3-methoxy-4,6-dimethylpyridine has a molecular weight of 216.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-4,6-dimethylpyridine is sourced from PubChem (CID 46177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).