2-bromo-1-propyl-2H-pyridine

C8H12BrN — CID 174866960

IUPAC2-bromo-1-propyl-2H-pyridine
SMILESCCCN1C=CC=CC1Br
InChIInChI=1S/C8H12BrN/c1-2-6-10-7-4-3-5-8(10)9/h3-5,7-8H,2,6H2,1H3
InChIKeyUXDTZMHIXFDYBO-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-1-propyl-2H-pyridine

2-bromo-1-propyl-2H-pyridine (PubChem CID 174866960) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 2-bromo-1-propyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-propyl-2H-pyridine
PubChem CID174866960
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name2-bromo-1-propyl-2H-pyridine
SMILESCCCN1C=CC=CC1Br
InChIInChI=1S/C8H12BrN/c1-2-6-10-7-4-3-5-8(10)9/h3-5,7-8H,2,6H2,1H3
InChIKeyUXDTZMHIXFDYBO-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 2-(1Z)-1-buten-1-yl-
CID 56972623
n-Butylpyridine
CID 17938176
1-Bromomethylpyridine
CID 69440273
2-fluoro-1-propyl-2H-pyridine
CID 140054350
2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine
CID 5381344
2-bromo-1-ethyl-2H-pyridine
CID 411856
2-bromo-1-prop-2-enyl-2H-pyridine
CID 417033
1-Propyl-1,2-dihydropyridine
CID 18505126
2-bromo-1-methyl-2H-pyridine
CID 19815833
1-butyl-1-methyl-2H-pyridin-1-ium
CID 19979782
1-(2-methylpropyl)-2H-pyridine
CID 21495182
(+/-)-1-(1-Bromoethyl)pyridine
CID 23094006

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-propyl-2H-pyridine?
The IUPAC name of 2-bromo-1-propyl-2H-pyridine (CID 174866960) is 2-bromo-1-propyl-2H-pyridine.
What is the SMILES notation for 2-bromo-1-propyl-2H-pyridine?
The canonical SMILES for 2-bromo-1-propyl-2H-pyridine is CCCN1C=CC=CC1Br.
What is the InChIKey of 2-bromo-1-propyl-2H-pyridine?
The InChIKey is UXDTZMHIXFDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-2-6-10-7-4-3-5-8(10)9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 2-bromo-1-propyl-2H-pyridine?
2-bromo-1-propyl-2H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-propyl-2H-pyridine is sourced from PubChem (CID 174866960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).