3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol

C11H14BrNO2 — CID 103456719

IUPAC3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
SMILESOC(Cc1ccc(Br)cn1)C(O)C1CC1
InChIInChI=1S/C11H14BrNO2/c12-8-3-4-9(13-6-8)5-10(14)11(15)7-1-2-7/h3-4,6-7,10-11,14-15H,1-2,5H2
InChIKeyNLDLRVAHVAASBL-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.52
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol

3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol (PubChem CID 103456719) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
PubChem CID103456719
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
SMILESOC(Cc1ccc(Br)cn1)C(O)C1CC1
InChIInChI=1S/C11H14BrNO2/c12-8-3-4-9(13-6-8)5-10(14)11(15)7-1-2-7/h3-4,6-7,10-11,14-15H,1-2,5H2
InChIKeyNLDLRVAHVAASBL-UHFFFAOYSA-N
XLogP1.52
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
CID 104800459
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833185
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol (CID 103456719) is 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol is OC(Cc1ccc(Br)cn1)C(O)C1CC1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol?
The InChIKey is NLDLRVAHVAASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-8-3-4-9(13-6-8)5-10(14)11(15)7-1-2-7/h3-4,6-7,10-11,14-15H,1-2,5H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol?
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol has a molecular weight of 272.14 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol is sourced from PubChem (CID 103456719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).