2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine

C10H10BrF2NO — CID 118640668

IUPAC2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
SMILESCc1cc(OC2CC(F)(F)C2)cc(Br)n1
InChIInChI=1S/C10H10BrF2NO/c1-6-2-7(3-9(11)14-6)15-8-4-10(12,13)5-8/h2-3,8H,4-5H2,1H3
InChIKeyRMCNXMGIHYQCKP-UHFFFAOYSA-N
MW278.10 g/mol
LogP3.33
Rot. Bonds2

About 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine

2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine (PubChem CID 118640668) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
PubChem CID118640668
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
SMILESCc1cc(OC2CC(F)(F)C2)cc(Br)n1
InChIInChI=1S/C10H10BrF2NO/c1-6-2-7(3-9(11)14-6)15-8-4-10(12,13)5-8/h2-3,8H,4-5H2,1H3
InChIKeyRMCNXMGIHYQCKP-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 53.33
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 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine?
The IUPAC name of 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine (CID 118640668) is 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine.
What is the SMILES notation for 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine?
The canonical SMILES for 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine is Cc1cc(OC2CC(F)(F)C2)cc(Br)n1.
What is the InChIKey of 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine?
The InChIKey is RMCNXMGIHYQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-6-2-7(3-9(11)14-6)15-8-4-10(12,13)5-8/h2-3,8H,4-5H2,1H3.
What are the key properties of 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine?
2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine has a molecular weight of 278.10 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine is sourced from PubChem (CID 118640668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).