3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride

C13H22ClNO6 — CID 70154974

IUPAC3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
SMILESCl.OCC(O)COCc1cccc(COCC(O)CO)n1
InChIInChI=1S/C13H21NO6.ClH/c15-4-12(17)8-19-6-10-2-1-3-11(14-10)7-20-9-13(18)5-16;/h1-3,12-13,15-18H,4-9H2;1H
InChIKeyRQDRBKHZOLIMGM-UHFFFAOYSA-N
MW323.77 g/mol
LogP-0.76
Rot. Bonds10

About 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride

3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride (PubChem CID 70154974) has the molecular formula C13H22ClNO6 and a molecular weight of 323.77 g/mol. Its IUPAC name is 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
PubChem CID70154974
Molecular FormulaC13H22ClNO6
Molecular Weight323.77 g/mol
Exact Mass323.11
IUPAC Name3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
SMILESCl.OCC(O)COCc1cccc(COCC(O)CO)n1
InChIInChI=1S/C13H21NO6.ClH/c15-4-12(17)8-19-6-10-2-1-3-11(14-10)7-20-9-13(18)5-16;/h1-3,12-13,15-18H,4-9H2;1H
InChIKeyRQDRBKHZOLIMGM-UHFFFAOYSA-N
XLogP-0.76
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

CID 172760983
CID 172760983
3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
CID 15536755
3-(pyren-1-ylmethoxy)propane-1,2-diol
CID 58590320
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367
3-[(3-nitrophenyl)methoxy]propane-1,2-diol
CID 56629531
1-(4-benzhydrylpiperazin-1-yl)-3-[(6-chloro-2-pyridinyl)methoxy]propan-2-ol
CID 139685665
3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
CID 70641589
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride?
The IUPAC name of 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride (CID 70154974) is 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride.
What is the SMILES notation for 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride?
The canonical SMILES for 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride is Cl.OCC(O)COCc1cccc(COCC(O)CO)n1.
What is the InChIKey of 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride?
The InChIKey is RQDRBKHZOLIMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6.ClH/c15-4-12(17)8-19-6-10-2-1-3-11(14-10)7-20-9-13(18)5-16;/h1-3,12-13,15-18H,4-9H2;1H.
What are the key properties of 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride?
3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride has a molecular weight of 323.77 g/mol, XLogP of -0.76, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride is sourced from PubChem (CID 70154974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).