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

C11H17NO4 — CID 171872418

IUPAC1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
SMILESCOc1ccc(C(O)C(O)CCO)c(C)n1
InChIInChI=1S/C11H17NO4/c1-7-8(3-4-10(12-7)16-2)11(15)9(14)5-6-13/h3-4,9,11,13-15H,5-6H2,1-2H3
InChIKeyDLZIMYPTVRGUNY-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.18
Rot. Bonds5

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

1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171872418) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
PubChem CID171872418
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
SMILESCOc1ccc(C(O)C(O)CCO)c(C)n1
InChIInChI=1S/C11H17NO4/c1-7-8(3-4-10(12-7)16-2)11(15)9(14)5-6-13/h3-4,9,11,13-15H,5-6H2,1-2H3
InChIKeyDLZIMYPTVRGUNY-UHFFFAOYSA-N
XLogP0.18
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872771
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
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435
1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
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
5-methoxy-2-(1,2,4-trihydroxybutyl)benzoic acid
CID 171872914
(2,6-dimethoxy-3-pyridinyl)methanediol
CID 134064056

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol (CID 171872418) is 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol is COc1ccc(C(O)C(O)CCO)c(C)n1.
What is the InChIKey of 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is DLZIMYPTVRGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-8(3-4-10(12-7)16-2)11(15)9(14)5-6-13/h3-4,9,11,13-15H,5-6H2,1-2H3.
What are the key properties of 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol?
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 227.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).