2-bromo-5-pentylpyridine

C10H14BrN — CID 170248675

IUPAC2-bromo-5-pentylpyridine
SMILESCCCCCc1ccc(Br)nc1
InChIInChI=1S/C10H14BrN/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-5H2,1H3
InChIKeyRZWPZECTXZVTSY-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.58
Rot. Bonds4

About 2-bromo-5-pentylpyridine

2-bromo-5-pentylpyridine (PubChem CID 170248675) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-5-pentylpyridine.

Molecular Properties

Compound Name2-bromo-5-pentylpyridine
PubChem CID170248675
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-5-pentylpyridine
SMILESCCCCCc1ccc(Br)nc1
InChIInChI=1S/C10H14BrN/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-5H2,1H3
InChIKeyRZWPZECTXZVTSY-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-bromo-3-pyridinyl)butan-1-ol
CID 87305203
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
2-bromo-5-(2-chloroethyl)pyridine
CID 130116129
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
2-bromo-5-butoxypyridine
CID 87199523

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pentylpyridine?
The IUPAC name of 2-bromo-5-pentylpyridine (CID 170248675) is 2-bromo-5-pentylpyridine.
What is the SMILES notation for 2-bromo-5-pentylpyridine?
The canonical SMILES for 2-bromo-5-pentylpyridine is CCCCCc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-pentylpyridine?
The InChIKey is RZWPZECTXZVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-2-3-4-5-9-6-7-10(11)12-8-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-bromo-5-pentylpyridine?
2-bromo-5-pentylpyridine has a molecular weight of 228.13 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pentylpyridine is sourced from PubChem (CID 170248675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).