5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane

C17H25BrN2O2Sn — CID 162161979

IUPAC5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane
SMILESCCOc1ccc(Br)cn1.CCOc1ccc([Sn](C)(C)C)cn1
InChIInChI=1S/C7H8BrNO.C7H8NO.3CH3.Sn/c1-2-10-7-4-3-6(8)5-9-7;1-2-9-7-5-3-4-6-8-7;;;;/h3-5H,2H2,1H3;3,5-6H,2H2,1H3;3*1H3;
InChIKeyZMPMCMRHSGZELN-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane

5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane (PubChem CID 162161979) has the molecular formula C17H25BrN2O2Sn and a molecular weight of 488.01 g/mol. Its IUPAC name is 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane.

Molecular Properties

Compound Name5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane
PubChem CID162161979
Molecular FormulaC17H25BrN2O2Sn
Molecular Weight488.01 g/mol
Exact Mass488.01
IUPAC Name5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane
SMILESCCOc1ccc(Br)cn1.CCOc1ccc([Sn](C)(C)C)cn1
InChIInChI=1S/C7H8BrNO.C7H8NO.3CH3.Sn/c1-2-10-7-4-3-6(8)5-9-7;1-2-9-7-5-3-4-6-8-7;;;;/h3-5H,2H2,1H3;3,5-6H,2H2,1H3;3*1H3;
InChIKeyZMPMCMRHSGZELN-UHFFFAOYSA-N
XLogP4.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane?
The IUPAC name of 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane (CID 162161979) is 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane.
What is the SMILES notation for 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane?
The canonical SMILES for 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane is CCOc1ccc(Br)cn1.CCOc1ccc([Sn](C)(C)C)cn1.
What is the InChIKey of 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane?
The InChIKey is ZMPMCMRHSGZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.C7H8NO.3CH3.Sn/c1-2-10-7-4-3-6(8)5-9-7;1-2-9-7-5-3-4-6-8-7;;;;/h3-5H,2H2,1H3;3,5-6H,2H2,1H3;3*1H3;.
What are the key properties of 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane?
5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane has a molecular weight of 488.01 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxypyridine;(6-ethoxy-3-pyridinyl)-trimethylstannane is sourced from PubChem (CID 162161979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).