3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol

C11H14BrNO2 — CID 118078728

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol
SMILESCc1nc(OCC2CC(O)C2)ccc1Br
InChIInChI=1S/C11H14BrNO2/c1-7-10(12)2-3-11(13-7)15-6-8-4-9(14)5-8/h2-3,8-9,14H,4-6H2,1H3
InChIKeyBJDMZMRYEYGBEO-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.30
Rot. Bonds3

About 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol

3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol (PubChem CID 118078728) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol
PubChem CID118078728
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol
SMILESCc1nc(OCC2CC(O)C2)ccc1Br
InChIInChI=1S/C11H14BrNO2/c1-7-10(12)2-3-11(13-7)15-6-8-4-9(14)5-8/h2-3,8-9,14H,4-6H2,1H3
InChIKeyBJDMZMRYEYGBEO-UHFFFAOYSA-N
XLogP2.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol (CID 118078728) is 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol is Cc1nc(OCC2CC(O)C2)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol?
The InChIKey is BJDMZMRYEYGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-10(12)2-3-11(13-7)15-6-8-4-9(14)5-8/h2-3,8-9,14H,4-6H2,1H3.
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol?
3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol has a molecular weight of 272.14 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]cyclobutan-1-ol is sourced from PubChem (CID 118078728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).