1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol

C11H17NO3 — CID 171872037

IUPAC1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
SMILESCc1cc(C(O)C(O)CCO)cc(C)n1
InChIInChI=1S/C11H17NO3/c1-7-5-9(6-8(2)12-7)11(15)10(14)3-4-13/h5-6,10-11,13-15H,3-4H2,1-2H3
InChIKeyITACTZNCTJRMNV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.48
Rot. Bonds4

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

1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol (PubChem CID 171872037) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
PubChem CID171872037
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
SMILESCc1cc(C(O)C(O)CCO)cc(C)n1
InChIInChI=1S/C11H17NO3/c1-7-5-9(6-8(2)12-7)11(15)10(14)3-4-13/h5-6,10-11,13-15H,3-4H2,1-2H3
InChIKeyITACTZNCTJRMNV-UHFFFAOYSA-N
XLogP0.48
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
4-bromo-1-(3,5-dimethylphenyl)butane-1,2-diol
CID 171891556
1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol
CID 171872087
1-(3-chloro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171871896
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
CID 107502818
1-(6-amino-2,4-dimethyl-3-pyridinyl)butane-1,2,4-triol
CID 171872275
2-methyl-4-(1,2,4-trihydroxybutyl)benzoic acid
CID 171872602

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol (CID 171872037) is 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol is Cc1cc(C(O)C(O)CCO)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol?
The InChIKey is ITACTZNCTJRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-5-9(6-8(2)12-7)11(15)10(14)3-4-13/h5-6,10-11,13-15H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol?
1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol has a molecular weight of 211.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).