6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine

C9H11BrFNO — CID 91059530

IUPAC6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine
SMILESCc1cc(Br)nc(C)c1OC(C)F
InChIInChI=1S/C9H11BrFNO/c1-5-4-8(10)12-6(2)9(5)13-7(3)11/h4,7H,1-3H3
InChIKeyFCNRPWIJIBYNCS-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.16
Rot. Bonds2

About 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine

6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine (PubChem CID 91059530) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine
PubChem CID91059530
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine
SMILESCc1cc(Br)nc(C)c1OC(C)F
InChIInChI=1S/C9H11BrFNO/c1-5-4-8(10)12-6(2)9(5)13-7(3)11/h4,7H,1-3H3
InChIKeyFCNRPWIJIBYNCS-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine?
The IUPAC name of 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine (CID 91059530) is 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine.
What is the SMILES notation for 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine?
The canonical SMILES for 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine is Cc1cc(Br)nc(C)c1OC(C)F.
What is the InChIKey of 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine?
The InChIKey is FCNRPWIJIBYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5-4-8(10)12-6(2)9(5)13-7(3)11/h4,7H,1-3H3.
What are the key properties of 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine?
6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine has a molecular weight of 248.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine is sourced from PubChem (CID 91059530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).