(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol

C11H16BrNO2 — CID 59544299

IUPAC(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol
SMILESCc1cc(Br)c(C)nc1OCC[C@@H](C)O
InChIInChI=1S/C11H16BrNO2/c1-7-6-10(12)9(3)13-11(7)15-5-4-8(2)14/h6,8,14H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyYNYREOZHWUHWNP-MRVPVSSYSA-N
MW274.16 g/mol
LogP2.61
Rot. Bonds4

About (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol

(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol (PubChem CID 59544299) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol
PubChem CID59544299
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol
SMILESCc1cc(Br)c(C)nc1OCC[C@@H](C)O
InChIInChI=1S/C11H16BrNO2/c1-7-6-10(12)9(3)13-11(7)15-5-4-8(2)14/h6,8,14H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyYNYREOZHWUHWNP-MRVPVSSYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
4-(3-bromo-4-methylphenyl)butan-2-ol
CID 131143359
4-(4-bromophenoxy)butan-2-ol
CID 112686550
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
CID 129306783
CID 89255517
CID 89255517
4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
CID 103915166
5-bromo-2-ethenyl-3,6-dimethylpyridine
CID 155482008
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
[(2R)-4-[[5-(3-formyl-2-methylphenyl)-3,6-dimethyl-2-pyridinyl]oxy]butan-2-yl] acetate
CID 59544595
5-bromo-3-fluoro-2-methoxy-6-methylpyridine
CID 52982885

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol?
The IUPAC name of (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol (CID 59544299) is (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol?
The canonical SMILES for (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol is Cc1cc(Br)c(C)nc1OCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol?
The InChIKey is YNYREOZHWUHWNP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-6-10(12)9(3)13-11(7)15-5-4-8(2)14/h6,8,14H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol?
(2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol has a molecular weight of 274.16 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-bromo-3,6-dimethyl-2-pyridinyl)oxy]butan-2-ol is sourced from PubChem (CID 59544299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).