4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine

C10H13BrFNO — CID 68653117

IUPAC4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine
SMILESCOCCCCc1cc(Br)c(F)cn1
InChIInChI=1S/C10H13BrFNO/c1-14-5-3-2-4-8-6-9(11)10(12)7-13-8/h6-7H,2-5H2,1H3
InChIKeyWRTOGMAWQUPHLZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.95
Rot. Bonds5

About 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine

4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine (PubChem CID 68653117) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine
PubChem CID68653117
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine
SMILESCOCCCCc1cc(Br)c(F)cn1
InChIInChI=1S/C10H13BrFNO/c1-14-5-3-2-4-8-6-9(11)10(12)7-13-8/h6-7H,2-5H2,1H3
InChIKeyWRTOGMAWQUPHLZ-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine?
The IUPAC name of 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine (CID 68653117) is 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine.
What is the SMILES notation for 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine?
The canonical SMILES for 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine is COCCCCc1cc(Br)c(F)cn1.
What is the InChIKey of 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine?
The InChIKey is WRTOGMAWQUPHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-14-5-3-2-4-8-6-9(11)10(12)7-13-8/h6-7H,2-5H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine?
4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine has a molecular weight of 262.12 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-(4-methoxybutyl)pyridine is sourced from PubChem (CID 68653117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).