3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol

C11H17NO3 — CID 71195072

IUPAC3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol
SMILESOCCC(CCO)C(O)c1ccncc1
InChIInChI=1S/C11H17NO3/c13-7-3-10(4-8-14)11(15)9-1-5-12-6-2-9/h1-2,5-6,10-11,13-15H,3-4,7-8H2
InChIKeyUWGRTHAQYINGIN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.50
Rot. Bonds6

About 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol

3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol (PubChem CID 71195072) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol.

Molecular Properties

Compound Name3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol
PubChem CID71195072
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol
SMILESOCCC(CCO)C(O)c1ccncc1
InChIInChI=1S/C11H17NO3/c13-7-3-10(4-8-14)11(15)9-1-5-12-6-2-9/h1-2,5-6,10-11,13-15H,3-4,7-8H2
InChIKeyUWGRTHAQYINGIN-UHFFFAOYSA-N
XLogP0.50
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
(1S,2R)-2-nitro-1-pyridin-4-ylpropane-1,3-diol
CID 93003157
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
4-[(1S,2S)-1,2-dibromo-2-pyridin-4-ylethyl]pyridine
CID 129396706
6-methyl-2-pyridin-4-ylheptan-3-ol
CID 66460886
1-pyridin-4-yltridecan-1-ol
CID 63410309
(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol?
The IUPAC name of 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol (CID 71195072) is 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol.
What is the SMILES notation for 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol?
The canonical SMILES for 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol is OCCC(CCO)C(O)c1ccncc1.
What is the InChIKey of 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol?
The InChIKey is UWGRTHAQYINGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-7-3-10(4-8-14)11(15)9-1-5-12-6-2-9/h1-2,5-6,10-11,13-15H,3-4,7-8H2.
What are the key properties of 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol?
3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol has a molecular weight of 211.26 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol is sourced from PubChem (CID 71195072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).