3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine

C14H20BrNO2 — CID 103176155

IUPAC3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine
SMILESCCOC1C(Br)CC1Oc1ccc(C)nc1CC
InChIInChI=1S/C14H20BrNO2/c1-4-11-12(7-6-9(3)16-11)18-13-8-10(15)14(13)17-5-2/h6-7,10,13-14H,4-5,8H2,1-3H3
InChIKeyRKJNKCONCBNARE-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.27
Rot. Bonds5

About 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine

3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine (PubChem CID 103176155) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine
PubChem CID103176155
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine
SMILESCCOC1C(Br)CC1Oc1ccc(C)nc1CC
InChIInChI=1S/C14H20BrNO2/c1-4-11-12(7-6-9(3)16-11)18-13-8-10(15)14(13)17-5-2/h6-7,10,13-14H,4-5,8H2,1-3H3
InChIKeyRKJNKCONCBNARE-UHFFFAOYSA-N
XLogP3.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine?
The IUPAC name of 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine (CID 103176155) is 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine is CCOC1C(Br)CC1Oc1ccc(C)nc1CC.
What is the InChIKey of 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine?
The InChIKey is RKJNKCONCBNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-11-12(7-6-9(3)16-11)18-13-8-10(15)14(13)17-5-2/h6-7,10,13-14H,4-5,8H2,1-3H3.
What are the key properties of 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine?
3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine has a molecular weight of 314.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-ethoxycyclobutyl)oxy-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103176155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).