4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol

C11H16BrNO2 — CID 57422597

IUPAC4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol
SMILESCc1cc(OCCC(C)(C)O)ncc1Br
InChIInChI=1S/C11H16BrNO2/c1-8-6-10(13-7-9(8)12)15-5-4-11(2,3)14/h6-7,14H,4-5H2,1-3H3
InChIKeyLHRUPCBEALVVIF-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.69
Rot. Bonds4

About 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol

4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol (PubChem CID 57422597) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol
PubChem CID57422597
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol
SMILESCc1cc(OCCC(C)(C)O)ncc1Br
InChIInChI=1S/C11H16BrNO2/c1-8-6-10(13-7-9(8)12)15-5-4-11(2,3)14/h6-7,14H,4-5H2,1-3H3
InChIKeyLHRUPCBEALVVIF-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol (CID 57422597) is 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol is Cc1cc(OCCC(C)(C)O)ncc1Br.
What is the InChIKey of 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol?
The InChIKey is LHRUPCBEALVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8-6-10(13-7-9(8)12)15-5-4-11(2,3)14/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol?
4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol has a molecular weight of 274.16 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 57422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).