1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol

C11H17NO5 — CID 171872771

IUPAC1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
SMILESCOc1ccc(C(O)C(O)CCO)c(OC)n1
InChIInChI=1S/C11H17NO5/c1-16-9-4-3-7(11(12-9)17-2)10(15)8(14)5-6-13/h3-4,8,10,13-15H,5-6H2,1-2H3
InChIKeyZPOYFRKLIDGUAP-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.12
Rot. Bonds6

About 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol

1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171872771) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
PubChem CID171872771
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
SMILESCOc1ccc(C(O)C(O)CCO)c(OC)n1
InChIInChI=1S/C11H17NO5/c1-16-9-4-3-7(11(12-9)17-2)10(15)8(14)5-6-13/h3-4,8,10,13-15H,5-6H2,1-2H3
InChIKeyZPOYFRKLIDGUAP-UHFFFAOYSA-N
XLogP-0.12
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
(2,6-dimethoxy-3-pyridinyl)methanediol
CID 134064056
3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171870701
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
CID 171860100
3-amino-3-(6-methoxy-2-methyl-3-pyridinyl)propan-1-ol
CID 55269648
5-methoxy-2-(1,2,4-trihydroxybutyl)benzoic acid
CID 171872914
1-(4-methoxy-2-nitrophenyl)butane-1,2,4-triol
CID 171873010
1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872056
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
4-chloro-1-(2-methoxy-3-pyridinyl)butane-1,2-diol
CID 171893593

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol (CID 171872771) is 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol is COc1ccc(C(O)C(O)CCO)c(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is ZPOYFRKLIDGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-16-9-4-3-7(11(12-9)17-2)10(15)8(14)5-6-13/h3-4,8,10,13-15H,5-6H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol?
1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 243.26 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).