1-(3-bromopropyl)-2H-pyridine;hydrobromide

C8H13Br2N — CID 23151338

IUPAC1-(3-bromopropyl)-2H-pyridine;hydrobromide
SMILESBr.BrCCCN1C=CC=CC1
InChIInChI=1S/C8H12BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-3,6H,4-5,7-8H2;1H
InChIKeyHWGHYTXMQHMYRS-UHFFFAOYSA-N
MW283.01 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-bromopropyl)-2H-pyridine;hydrobromide

1-(3-bromopropyl)-2H-pyridine;hydrobromide (PubChem CID 23151338) has the molecular formula C8H13Br2N and a molecular weight of 283.01 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)-2H-pyridine;hydrobromide
PubChem CID23151338
Molecular FormulaC8H13Br2N
Molecular Weight283.01 g/mol
Exact Mass280.94
IUPAC Name1-(3-bromopropyl)-2H-pyridine;hydrobromide
SMILESBr.BrCCCN1C=CC=CC1
InChIInChI=1S/C8H12BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-3,6H,4-5,7-8H2;1H
InChIKeyHWGHYTXMQHMYRS-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.01
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2H-pyridine;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)-2H-pyridine;hydrobromide (CID 23151338) is 1-(3-bromopropyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)-2H-pyridine;hydrobromide is Br.BrCCCN1C=CC=CC1.
What is the InChIKey of 1-(3-bromopropyl)-2H-pyridine;hydrobromide?
The InChIKey is HWGHYTXMQHMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-3,6H,4-5,7-8H2;1H.
What are the key properties of 1-(3-bromopropyl)-2H-pyridine;hydrobromide?
1-(3-bromopropyl)-2H-pyridine;hydrobromide has a molecular weight of 283.01 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 23151338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).