2-bromo-1-hexyl-2H-pyridine

C11H18BrN — CID 161493012

IUPAC2-bromo-1-hexyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1Br
InChIInChI=1S/C11H18BrN/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyWFVKZPULXDVGNB-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.67
Rot. Bonds5

About 2-bromo-1-hexyl-2H-pyridine

2-bromo-1-hexyl-2H-pyridine (PubChem CID 161493012) has the molecular formula C11H18BrN and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-bromo-1-hexyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-hexyl-2H-pyridine
PubChem CID161493012
Molecular FormulaC11H18BrN
Molecular Weight244.18 g/mol
Exact Mass243.06
IUPAC Name2-bromo-1-hexyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1Br
InChIInChI=1S/C11H18BrN/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyWFVKZPULXDVGNB-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.67
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
CID 161330057
CID 161330057
1-butyl-2-hexyl-2H-pyridine
CID 141363416
2-(1-pentyl-2H-pyridin-2-yl)acetic acid
CID 162720512
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-hexyl-2H-pyridine?
The IUPAC name of 2-bromo-1-hexyl-2H-pyridine (CID 161493012) is 2-bromo-1-hexyl-2H-pyridine.
What is the SMILES notation for 2-bromo-1-hexyl-2H-pyridine?
The canonical SMILES for 2-bromo-1-hexyl-2H-pyridine is CCCCCCN1C=CC=CC1Br.
What is the InChIKey of 2-bromo-1-hexyl-2H-pyridine?
The InChIKey is WFVKZPULXDVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10-11H,2-4,6,9H2,1H3.
What are the key properties of 2-bromo-1-hexyl-2H-pyridine?
2-bromo-1-hexyl-2H-pyridine has a molecular weight of 244.18 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-hexyl-2H-pyridine is sourced from PubChem (CID 161493012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).