2,3-bis(4-bromobutoxy)pyridine

C13H19Br2NO2 — CID 139649131

IUPAC2,3-bis(4-bromobutoxy)pyridine
SMILESBrCCCCOc1cccnc1OCCCCBr
InChIInChI=1S/C13H19Br2NO2/c14-7-1-3-10-17-12-6-5-9-16-13(12)18-11-4-2-8-15/h5-6,9H,1-4,7-8,10-11H2
InChIKeyWWYKGSJPGQARQP-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.19
Rot. Bonds10

About 2,3-bis(4-bromobutoxy)pyridine

2,3-bis(4-bromobutoxy)pyridine (PubChem CID 139649131) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is 2,3-bis(4-bromobutoxy)pyridine.

Molecular Properties

Compound Name2,3-bis(4-bromobutoxy)pyridine
PubChem CID139649131
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC Name2,3-bis(4-bromobutoxy)pyridine
SMILESBrCCCCOc1cccnc1OCCCCBr
InChIInChI=1S/C13H19Br2NO2/c14-7-1-3-10-17-12-6-5-9-16-13(12)18-11-4-2-8-15/h5-6,9H,1-4,7-8,10-11H2
InChIKeyWWYKGSJPGQARQP-UHFFFAOYSA-N
XLogP4.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-didecoxypyridine
CID 151922374
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692
5-(9-bromononoxy)quinoline
CID 103044601
2-(12-bromododecoxy)phenolate
CID 100985247
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
2-(5-bromopentoxy)phenol
CID 13197601
1-(6-bromohexoxy)-2-(chloromethoxy)benzene
CID 54415584
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
ethane;2-methoxy-3-(methoxymethoxy)pyridine
CID 144703127

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromobutoxy)pyridine?
The IUPAC name of 2,3-bis(4-bromobutoxy)pyridine (CID 139649131) is 2,3-bis(4-bromobutoxy)pyridine.
What is the SMILES notation for 2,3-bis(4-bromobutoxy)pyridine?
The canonical SMILES for 2,3-bis(4-bromobutoxy)pyridine is BrCCCCOc1cccnc1OCCCCBr.
What is the InChIKey of 2,3-bis(4-bromobutoxy)pyridine?
The InChIKey is WWYKGSJPGQARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c14-7-1-3-10-17-12-6-5-9-16-13(12)18-11-4-2-8-15/h5-6,9H,1-4,7-8,10-11H2.
What are the key properties of 2,3-bis(4-bromobutoxy)pyridine?
2,3-bis(4-bromobutoxy)pyridine has a molecular weight of 381.11 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromobutoxy)pyridine is sourced from PubChem (CID 139649131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).