1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol

C12H18BrNO2 — CID 116713811

IUPAC1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-4-16-12(2,3)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyLFJZOZUOYVVPNN-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.56
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol

1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol (PubChem CID 116713811) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
PubChem CID116713811
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
SMILESCCOC(C)(C)C(O)Cc1cncc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-4-16-12(2,3)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyLFJZOZUOYVVPNN-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725685
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 104800320
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
1-(5-bromo-3-pyridinyl)-4,6,6-trimethylheptan-2-ol
CID 115833444
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol (CID 116713811) is 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol is CCOC(C)(C)C(O)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol?
The InChIKey is LFJZOZUOYVVPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-4-16-12(2,3)11(15)6-9-5-10(13)8-14-7-9/h5,7-8,11,15H,4,6H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol?
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol is sourced from PubChem (CID 116713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).