2-bromo-3-ethyl-5-methoxypyridine

C8H10BrNO — CID 133058032

IUPAC2-bromo-3-ethyl-5-methoxypyridine
SMILESCCc1cc(OC)cnc1Br
InChIInChI=1S/C8H10BrNO/c1-3-6-4-7(11-2)5-10-8(6)9/h4-5H,3H2,1-2H3
InChIKeyYMZILGXZYWXRPB-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.42
Rot. Bonds2

About 2-bromo-3-ethyl-5-methoxypyridine

2-bromo-3-ethyl-5-methoxypyridine (PubChem CID 133058032) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-3-ethyl-5-methoxypyridine.

Molecular Properties

Compound Name2-bromo-3-ethyl-5-methoxypyridine
PubChem CID133058032
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-bromo-3-ethyl-5-methoxypyridine
SMILESCCc1cc(OC)cnc1Br
InChIInChI=1S/C8H10BrNO/c1-3-6-4-7(11-2)5-10-8(6)9/h4-5H,3H2,1-2H3
InChIKeyYMZILGXZYWXRPB-UHFFFAOYSA-N
XLogP2.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.42
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-ethyl-5-methoxypyridine?
The IUPAC name of 2-bromo-3-ethyl-5-methoxypyridine (CID 133058032) is 2-bromo-3-ethyl-5-methoxypyridine.
What is the SMILES notation for 2-bromo-3-ethyl-5-methoxypyridine?
The canonical SMILES for 2-bromo-3-ethyl-5-methoxypyridine is CCc1cc(OC)cnc1Br.
What is the InChIKey of 2-bromo-3-ethyl-5-methoxypyridine?
The InChIKey is YMZILGXZYWXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-3-6-4-7(11-2)5-10-8(6)9/h4-5H,3H2,1-2H3.
What are the key properties of 2-bromo-3-ethyl-5-methoxypyridine?
2-bromo-3-ethyl-5-methoxypyridine has a molecular weight of 216.08 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-5-methoxypyridine is sourced from PubChem (CID 133058032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).