3-(6-bromo-3-pyridinyl)pentane-1,5-diol

C10H14BrNO2 — CID 165356587

IUPAC3-(6-bromo-3-pyridinyl)pentane-1,5-diol
SMILESOCCC(CCO)c1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2
InChIKeyOZKIIAQOZBVQRH-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.69
Rot. Bonds5

About 3-(6-bromo-3-pyridinyl)pentane-1,5-diol

3-(6-bromo-3-pyridinyl)pentane-1,5-diol (PubChem CID 165356587) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-(6-bromo-3-pyridinyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(6-bromo-3-pyridinyl)pentane-1,5-diol
PubChem CID165356587
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name3-(6-bromo-3-pyridinyl)pentane-1,5-diol
SMILESOCCC(CCO)c1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2
InChIKeyOZKIIAQOZBVQRH-UHFFFAOYSA-N
XLogP1.69
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
3-(6-amino-3-pyridinyl)pentane-1,5-diol
CID 118045558
1-(6-bromo-3-pyridinyl)butan-1-ol
CID 87126777
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240763
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
2-(6-bromo-3-pyridinyl)ethanol
CID 22473220
2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine
CID 155356506
(R)-(6-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 131134352
(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130740917
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
4-(6-bromo-3-pyridinyl)butan-1-ol
CID 87305203

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-pyridinyl)pentane-1,5-diol?
The IUPAC name of 3-(6-bromo-3-pyridinyl)pentane-1,5-diol (CID 165356587) is 3-(6-bromo-3-pyridinyl)pentane-1,5-diol.
What is the SMILES notation for 3-(6-bromo-3-pyridinyl)pentane-1,5-diol?
The canonical SMILES for 3-(6-bromo-3-pyridinyl)pentane-1,5-diol is OCCC(CCO)c1ccc(Br)nc1.
What is the InChIKey of 3-(6-bromo-3-pyridinyl)pentane-1,5-diol?
The InChIKey is OZKIIAQOZBVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2.
What are the key properties of 3-(6-bromo-3-pyridinyl)pentane-1,5-diol?
3-(6-bromo-3-pyridinyl)pentane-1,5-diol has a molecular weight of 260.13 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-pyridinyl)pentane-1,5-diol is sourced from PubChem (CID 165356587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).