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

C12H16BrNO2 — CID 118086614

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol
SMILESCc1nc(OCC2CC(C)(O)C2)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-8-10(13)3-4-11(14-8)16-7-9-5-12(2,15)6-9/h3-4,9,15H,5-7H2,1-2H3
InChIKeyLJLCGRHCULEDOV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.69
Rot. Bonds3

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

3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol (PubChem CID 118086614) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol
PubChem CID118086614
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol
SMILESCc1nc(OCC2CC(C)(O)C2)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-8-10(13)3-4-11(14-8)16-7-9-5-12(2,15)6-9/h3-4,9,15H,5-7H2,1-2H3
InChIKeyLJLCGRHCULEDOV-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.69
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]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol (CID 118086614) is 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol is Cc1nc(OCC2CC(C)(O)C2)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol?
The InChIKey is LJLCGRHCULEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-10(13)3-4-11(14-8)16-7-9-5-12(2,15)6-9/h3-4,9,15H,5-7H2,1-2H3.
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol?
3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.69, 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]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 118086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).