2-bromo-5-butoxypyridine

C9H12BrNO — CID 87199523

IUPAC2-bromo-5-butoxypyridine
SMILESCCCCOc1ccc(Br)nc1
InChIInChI=1S/C9H12BrNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyXNOZIGCXKARPGE-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.02
Rot. Bonds4

About 2-bromo-5-butoxypyridine

2-bromo-5-butoxypyridine (PubChem CID 87199523) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-5-butoxypyridine.

Molecular Properties

Compound Name2-bromo-5-butoxypyridine
PubChem CID87199523
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-5-butoxypyridine
SMILESCCCCOc1ccc(Br)nc1
InChIInChI=1S/C9H12BrNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3
InChIKeyXNOZIGCXKARPGE-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
2-bromo-5-(3-ethoxypropoxy)pyridine
CID 103816245
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
2-bromo-5-(3,3-dimethylbutoxy)pyridine
CID 102670859
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
5-[(6-bromo-3-pyridinyl)oxy]pentan-2-one
CID 161220213
5-butoxy-2-methylpyridine
CID 13154052
2-bromo-5-pent-3-ynoxypyridine
CID 104743964
2-bromo-5-but-3-ynoxypyridine
CID 103864136
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
2-(bromomethyl)-5-octoxypyridine
CID 79799471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butoxypyridine?
The IUPAC name of 2-bromo-5-butoxypyridine (CID 87199523) is 2-bromo-5-butoxypyridine.
What is the SMILES notation for 2-bromo-5-butoxypyridine?
The canonical SMILES for 2-bromo-5-butoxypyridine is CCCCOc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-butoxypyridine?
The InChIKey is XNOZIGCXKARPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-bromo-5-butoxypyridine?
2-bromo-5-butoxypyridine has a molecular weight of 230.10 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butoxypyridine is sourced from PubChem (CID 87199523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).