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

C11H16BrNO2 — CID 103454775

IUPAC1-(5-bromo-2-pyridinyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO2/c1-2-3-10(14)11(15)6-9-5-4-8(12)7-13-9/h4-5,7,10-11,14-15H,2-3,6H2,1H3
InChIKeyXHZVTZHVNYJPPZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.91
Rot. Bonds5

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

1-(5-bromo-2-pyridinyl)hexane-2,3-diol (PubChem CID 103454775) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)hexane-2,3-diol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)hexane-2,3-diol
PubChem CID103454775
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(5-bromo-2-pyridinyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H16BrNO2/c1-2-3-10(14)11(15)6-9-5-4-8(12)7-13-9/h4-5,7,10-11,14-15H,2-3,6H2,1H3
InChIKeyXHZVTZHVNYJPPZ-UHFFFAOYSA-N
XLogP1.91
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
5-bromo-2-(3-bromohexyl)pyridine
CID 104810132
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)hexane-2,3-diol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)hexane-2,3-diol (CID 103454775) is 1-(5-bromo-2-pyridinyl)hexane-2,3-diol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)hexane-2,3-diol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)hexane-2,3-diol is CCCC(O)C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)hexane-2,3-diol?
The InChIKey is XHZVTZHVNYJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-2-3-10(14)11(15)6-9-5-4-8(12)7-13-9/h4-5,7,10-11,14-15H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)hexane-2,3-diol?
1-(5-bromo-2-pyridinyl)hexane-2,3-diol has a molecular weight of 274.16 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)hexane-2,3-diol is sourced from PubChem (CID 103454775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).