3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol

C9H13NO4 — CID 82850321

IUPAC3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
SMILESOCc1ccc(OCC(O)CO)cn1
InChIInChI=1S/C9H13NO4/c11-4-7-1-2-9(3-10-7)14-6-8(13)5-12/h1-3,8,11-13H,4-6H2
InChIKeyLHSAOHQOFYQZDR-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.69
Rot. Bonds5

About 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol

3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol (PubChem CID 82850321) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
PubChem CID82850321
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
SMILESOCc1ccc(OCC(O)CO)cn1
InChIInChI=1S/C9H13NO4/c11-4-7-1-2-9(3-10-7)14-6-8(13)5-12/h1-3,8,11-13H,4-6H2
InChIKeyLHSAOHQOFYQZDR-UHFFFAOYSA-N
XLogP-0.69
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
CID 79800185
5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
CID 79794446
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]methanol
CID 67291216
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 106988796

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol (CID 82850321) is 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol is OCc1ccc(OCC(O)CO)cn1.
What is the InChIKey of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol?
The InChIKey is LHSAOHQOFYQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-4-7-1-2-9(3-10-7)14-6-8(13)5-12/h1-3,8,11-13H,4-6H2.
What are the key properties of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol?
3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol has a molecular weight of 199.21 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol is sourced from PubChem (CID 82850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).