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

C8H12BrN — CID 23151339

IUPAC1-(3-bromopropyl)-2H-pyridine
SMILESBrCCCN1C=CC=CC1
InChIInChI=1S/C8H12BrN/c9-5-4-8-10-6-2-1-3-7-10/h1-3,6H,4-5,7-8H2
InChIKeyZVOISVCCTNYSCJ-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.16
Rot. Bonds3

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

1-(3-bromopropyl)-2H-pyridine (PubChem CID 23151339) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2H-pyridine.

Molecular Properties

Compound Name1-(3-bromopropyl)-2H-pyridine
PubChem CID23151339
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name1-(3-bromopropyl)-2H-pyridine
SMILESBrCCCN1C=CC=CC1
InChIInChI=1S/C8H12BrN/c9-5-4-8-10-6-2-1-3-7-10/h1-3,6H,4-5,7-8H2
InChIKeyZVOISVCCTNYSCJ-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.16
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?
The IUPAC name of 1-(3-bromopropyl)-2H-pyridine (CID 23151339) is 1-(3-bromopropyl)-2H-pyridine.
What is the SMILES notation for 1-(3-bromopropyl)-2H-pyridine?
The canonical SMILES for 1-(3-bromopropyl)-2H-pyridine is BrCCCN1C=CC=CC1.
What is the InChIKey of 1-(3-bromopropyl)-2H-pyridine?
The InChIKey is ZVOISVCCTNYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c9-5-4-8-10-6-2-1-3-7-10/h1-3,6H,4-5,7-8H2.
What are the key properties of 1-(3-bromopropyl)-2H-pyridine?
1-(3-bromopropyl)-2H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 23151339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).