2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol

C10H15NO4 — CID 150698152

IUPAC2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
SMILESOCC(CO)(CO)OCc1ccccn1
InChIInChI=1S/C10H15NO4/c12-6-10(7-13,8-14)15-5-9-3-1-2-4-11-9/h1-4,12-14H,5-8H2
InChIKeyJLHCLTOICVAZBP-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.69
Rot. Bonds6

About 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol

2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol (PubChem CID 150698152) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
PubChem CID150698152
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
SMILESOCC(CO)(CO)OCc1ccccn1
InChIInChI=1S/C10H15NO4/c12-6-10(7-13,8-14)15-5-9-3-1-2-4-11-9/h1-4,12-14H,5-8H2
InChIKeyJLHCLTOICVAZBP-UHFFFAOYSA-N
XLogP-0.69
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
pyridin-2-ylmethyl hypoiodite
CID 67567753
pyridin-2-ylmethanol;vanadium
CID 176962038
ethane;pyridin-2-ylmethanol
CID 91461493
2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride
CID 23111151
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol (CID 150698152) is 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol is OCC(CO)(CO)OCc1ccccn1.
What is the InChIKey of 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol?
The InChIKey is JLHCLTOICVAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-6-10(7-13,8-14)15-5-9-3-1-2-4-11-9/h1-4,12-14H,5-8H2.
What are the key properties of 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol?
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol has a molecular weight of 213.23 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol is sourced from PubChem (CID 150698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).