2-bromo-6-methoxy-4-methylpyridine

C7H8BrNO — CID 91990008

IUPAC2-bromo-6-methoxy-4-methylpyridine
SMILESCOc1cc(C)cc(Br)n1
InChIInChI=1S/C7H8BrNO/c1-5-3-6(8)9-7(4-5)10-2/h3-4H,1-2H3
InChIKeyVLZKZEISEZUUAQ-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.16
Rot. Bonds1

About 2-bromo-6-methoxy-4-methylpyridine

2-bromo-6-methoxy-4-methylpyridine (PubChem CID 91990008) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-methylpyridine
PubChem CID91990008
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-6-methoxy-4-methylpyridine
SMILESCOc1cc(C)cc(Br)n1
InChIInChI=1S/C7H8BrNO/c1-5-3-6(8)9-7(4-5)10-2/h3-4H,1-2H3
InChIKeyVLZKZEISEZUUAQ-UHFFFAOYSA-N
XLogP2.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.16
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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Related Compounds

CID 256810
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CID 80378
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CID 2734895
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CID 46233349
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CID 642860
CID 642860
CID 4178002
CID 4178002
CID 10798146
CID 10798146
CID 29919811
CID 29919811
CID 42553050
CID 42553050
CID 6430781
CID 6430781
CID 817475
CID 817475
CID 14223472
CID 14223472

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-methylpyridine?
The IUPAC name of 2-bromo-6-methoxy-4-methylpyridine (CID 91990008) is 2-bromo-6-methoxy-4-methylpyridine.
What is the SMILES notation for 2-bromo-6-methoxy-4-methylpyridine?
The canonical SMILES for 2-bromo-6-methoxy-4-methylpyridine is COc1cc(C)cc(Br)n1.
What is the InChIKey of 2-bromo-6-methoxy-4-methylpyridine?
The InChIKey is VLZKZEISEZUUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-6(8)9-7(4-5)10-2/h3-4H,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-methylpyridine?
2-bromo-6-methoxy-4-methylpyridine has a molecular weight of 202.05 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-methylpyridine is sourced from PubChem (CID 91990008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).