1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol

C13H18BrNO2 — CID 115833432

IUPAC1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
SMILESOC(CCC1CCCO1)Cc1cncc(Br)c1
InChIInChI=1S/C13H18BrNO2/c14-11-6-10(8-15-9-11)7-12(16)3-4-13-2-1-5-17-13/h6,8-9,12-13,16H,1-5,7H2
InChIKeyCGRIQSFQUKXMAL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.71
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol

1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol (PubChem CID 115833432) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
PubChem CID115833432
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
SMILESOC(CCC1CCCO1)Cc1cncc(Br)c1
InChIInChI=1S/C13H18BrNO2/c14-11-6-10(8-15-9-11)7-12(16)3-4-13-2-1-5-17-13/h6,8-9,12-13,16H,1-5,7H2
InChIKeyCGRIQSFQUKXMAL-UHFFFAOYSA-N
XLogP2.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
CID 104804014
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
3-bromo-5-[2-(oxolan-2-yl)ethoxy]pyridine
CID 65160795
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
CID 103544159
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol (CID 115833432) is 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol is OC(CCC1CCCO1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The InChIKey is CGRIQSFQUKXMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-6-10(8-15-9-11)7-12(16)3-4-13-2-1-5-17-13/h6,8-9,12-13,16H,1-5,7H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol has a molecular weight of 300.20 g/mol, XLogP of 2.71, 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)-4-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 115833432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).