5-bromo-2,4-diethoxypyridine

C9H12BrNO2 — CID 1236662

IUPAC5-bromo-2,4-diethoxypyridine
SMILESCCOc1cc(OCC)c(Br)cn1
InChIInChI=1S/C9H12BrNO2/c1-3-12-8-5-9(13-4-2)11-6-7(8)10/h5-6H,3-4H2,1-2H3
InChIKeyIUHIHPJXZDJRMX-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.64
Rot. Bonds4

About 5-bromo-2,4-diethoxypyridine

5-bromo-2,4-diethoxypyridine (PubChem CID 1236662) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-bromo-2,4-diethoxypyridine.

Molecular Properties

Compound Name5-bromo-2,4-diethoxypyridine
PubChem CID1236662
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-bromo-2,4-diethoxypyridine
SMILESCCOc1cc(OCC)c(Br)cn1
InChIInChI=1S/C9H12BrNO2/c1-3-12-8-5-9(13-4-2)11-6-7(8)10/h5-6H,3-4H2,1-2H3
InChIKeyIUHIHPJXZDJRMX-UHFFFAOYSA-N
XLogP2.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-diethoxypyridine?
The IUPAC name of 5-bromo-2,4-diethoxypyridine (CID 1236662) is 5-bromo-2,4-diethoxypyridine.
What is the SMILES notation for 5-bromo-2,4-diethoxypyridine?
The canonical SMILES for 5-bromo-2,4-diethoxypyridine is CCOc1cc(OCC)c(Br)cn1.
What is the InChIKey of 5-bromo-2,4-diethoxypyridine?
The InChIKey is IUHIHPJXZDJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-3-12-8-5-9(13-4-2)11-6-7(8)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2,4-diethoxypyridine?
5-bromo-2,4-diethoxypyridine has a molecular weight of 246.10 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-diethoxypyridine is sourced from PubChem (CID 1236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).