1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide

C11H16BrN — CID 174772123

IUPAC1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide
SMILESBr.C=CCC1C=CC=CN1CC=C
InChIInChI=1S/C11H15N.BrH/c1-3-7-11-8-5-6-10-12(11)9-4-2;/h3-6,8,10-11H,1-2,7,9H2;1H
InChIKeyWSNVUYSMCLXMTR-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.08
Rot. Bonds4

About 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide

1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide (PubChem CID 174772123) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide
PubChem CID174772123
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide
SMILESBr.C=CCC1C=CC=CN1CC=C
InChIInChI=1S/C11H15N.BrH/c1-3-7-11-8-5-6-10-12(11)9-4-2;/h3-6,8,10-11H,1-2,7,9H2;1H
InChIKeyWSNVUYSMCLXMTR-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide?
The IUPAC name of 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide (CID 174772123) is 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide is Br.C=CCC1C=CC=CN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide?
The InChIKey is WSNVUYSMCLXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.BrH/c1-3-7-11-8-5-6-10-12(11)9-4-2;/h3-6,8,10-11H,1-2,7,9H2;1H.
What are the key properties of 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide?
1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide has a molecular weight of 242.16 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 174772123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).