1-(4-bromobutyl)-2H-pyridine;hydrobromide

C9H15Br2N — CID 155319566

IUPAC1-(4-bromobutyl)-2H-pyridine;hydrobromide
SMILESBr.BrCCCCN1C=CC=CC1
InChIInChI=1S/C9H14BrN.BrH/c10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7H,2,5-6,8-9H2;1H
InChIKeyIZDVOWKAHYLOPP-UHFFFAOYSA-N
MW297.03 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-bromobutyl)-2H-pyridine;hydrobromide

1-(4-bromobutyl)-2H-pyridine;hydrobromide (PubChem CID 155319566) has the molecular formula C9H15Br2N and a molecular weight of 297.03 g/mol. Its IUPAC name is 1-(4-bromobutyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name1-(4-bromobutyl)-2H-pyridine;hydrobromide
PubChem CID155319566
Molecular FormulaC9H15Br2N
Molecular Weight297.03 g/mol
Exact Mass294.96
IUPAC Name1-(4-bromobutyl)-2H-pyridine;hydrobromide
SMILESBr.BrCCCCN1C=CC=CC1
InChIInChI=1S/C9H14BrN.BrH/c10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7H,2,5-6,8-9H2;1H
InChIKeyIZDVOWKAHYLOPP-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-2H-pyridine;hydrobromide?
The IUPAC name of 1-(4-bromobutyl)-2H-pyridine;hydrobromide (CID 155319566) is 1-(4-bromobutyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 1-(4-bromobutyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 1-(4-bromobutyl)-2H-pyridine;hydrobromide is Br.BrCCCCN1C=CC=CC1.
What is the InChIKey of 1-(4-bromobutyl)-2H-pyridine;hydrobromide?
The InChIKey is IZDVOWKAHYLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN.BrH/c10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7H,2,5-6,8-9H2;1H.
What are the key properties of 1-(4-bromobutyl)-2H-pyridine;hydrobromide?
1-(4-bromobutyl)-2H-pyridine;hydrobromide has a molecular weight of 297.03 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 155319566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).