4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide

C9H14BrNO — CID 172740116

IUPAC4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide
SMILESBr.C=CC1=CCN(OCC)C=C1
InChIInChI=1S/C9H13NO.BrH/c1-3-9-5-7-10(8-6-9)11-4-2;/h3,5-7H,1,4,8H2,2H3;1H
InChIKeyIZGCEHZYOSIWQT-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.46
Rot. Bonds3

About 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide

4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide (PubChem CID 172740116) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide
PubChem CID172740116
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide
SMILESBr.C=CC1=CCN(OCC)C=C1
InChIInChI=1S/C9H13NO.BrH/c1-3-9-5-7-10(8-6-9)11-4-2;/h3,5-7H,1,4,8H2,2H3;1H
InChIKeyIZGCEHZYOSIWQT-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide?
The IUPAC name of 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide (CID 172740116) is 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide.
What is the SMILES notation for 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide?
The canonical SMILES for 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide is Br.C=CC1=CCN(OCC)C=C1.
What is the InChIKey of 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide?
The InChIKey is IZGCEHZYOSIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.BrH/c1-3-9-5-7-10(8-6-9)11-4-2;/h3,5-7H,1,4,8H2,2H3;1H.
What are the key properties of 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide?
4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide has a molecular weight of 232.12 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethoxy-2H-pyridine;hydrobromide is sourced from PubChem (CID 172740116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).