4-ethenylpyridine;trihydrobromide

C7H10Br3N — CID 67161394

IUPAC4-ethenylpyridine;trihydrobromide
SMILESBr.Br.Br.C=Cc1ccncc1
InChIInChI=1S/C7H7N.3BrH/c1-2-7-3-5-8-6-4-7;;;/h2-6H,1H2;3*1H
InChIKeyRDDREUKTFRNXBQ-UHFFFAOYSA-N
MW347.88 g/mol
LogP3.46
Rot. Bonds1

About 4-ethenylpyridine;trihydrobromide

4-ethenylpyridine;trihydrobromide (PubChem CID 67161394) has the molecular formula C7H10Br3N and a molecular weight of 347.88 g/mol. Its IUPAC name is 4-ethenylpyridine;trihydrobromide.

Molecular Properties

Compound Name4-ethenylpyridine;trihydrobromide
PubChem CID67161394
Molecular FormulaC7H10Br3N
Molecular Weight347.88 g/mol
Exact Mass344.84
IUPAC Name4-ethenylpyridine;trihydrobromide
SMILESBr.Br.Br.C=Cc1ccncc1
InChIInChI=1S/C7H7N.3BrH/c1-2-7-3-5-8-6-4-7;;;/h2-6H,1H2;3*1H
InChIKeyRDDREUKTFRNXBQ-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyridine;trihydrobromide?
The IUPAC name of 4-ethenylpyridine;trihydrobromide (CID 67161394) is 4-ethenylpyridine;trihydrobromide.
What is the SMILES notation for 4-ethenylpyridine;trihydrobromide?
The canonical SMILES for 4-ethenylpyridine;trihydrobromide is Br.Br.Br.C=Cc1ccncc1.
What is the InChIKey of 4-ethenylpyridine;trihydrobromide?
The InChIKey is RDDREUKTFRNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.3BrH/c1-2-7-3-5-8-6-4-7;;;/h2-6H,1H2;3*1H.
What are the key properties of 4-ethenylpyridine;trihydrobromide?
4-ethenylpyridine;trihydrobromide has a molecular weight of 347.88 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyridine;trihydrobromide is sourced from PubChem (CID 67161394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).