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

C10H15NO4 — CID 171872087

IUPAC1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol
SMILESCc1ccc(O)c(C(O)C(O)CCO)n1
InChIInChI=1S/C10H15NO4/c1-6-2-3-7(13)9(11-6)10(15)8(14)4-5-12/h2-3,8,10,12-15H,4-5H2,1H3
InChIKeyDGMOJFHANWYKHH-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.13
Rot. Bonds4

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

1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol (PubChem CID 171872087) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol
PubChem CID171872087
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol
SMILESCc1ccc(O)c(C(O)C(O)CCO)n1
InChIInChI=1S/C10H15NO4/c1-6-2-3-7(13)9(11-6)10(15)8(14)4-5-12/h2-3,8,10,12-15H,4-5H2,1H3
InChIKeyDGMOJFHANWYKHH-UHFFFAOYSA-N
XLogP-0.13
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-(2,6-dimethyl-4-pyridinyl)butane-1,2,4-triol
CID 171872037
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
CID 17371099
1-(3-tert-butyl-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872892
butane-1,3-diol;2-methylquinoline
CID 141397242
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol (CID 171872087) is 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol is Cc1ccc(O)c(C(O)C(O)CCO)n1.
What is the InChIKey of 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol?
The InChIKey is DGMOJFHANWYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-2-3-7(13)9(11-6)10(15)8(14)4-5-12/h2-3,8,10,12-15H,4-5H2,1H3.
What are the key properties of 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol?
1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol has a molecular weight of 213.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-6-methyl-2-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).