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

C11H17NO4 — CID 171872420

IUPAC1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
SMILESCCOc1ccc(C(O)C(O)CCO)cn1
InChIInChI=1S/C11H17NO4/c1-2-16-10-4-3-8(7-12-10)11(15)9(14)5-6-13/h3-4,7,9,11,13-15H,2,5-6H2,1H3
InChIKeyZJHQMHIEODOAER-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.26
Rot. Bonds6

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

1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171872420) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
PubChem CID171872420
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
SMILESCCOc1ccc(C(O)C(O)CCO)cn1
InChIInChI=1S/C11H17NO4/c1-2-16-10-4-3-8(7-12-10)11(15)9(14)5-6-13/h3-4,7,9,11,13-15H,2,5-6H2,1H3
InChIKeyZJHQMHIEODOAER-UHFFFAOYSA-N
XLogP0.26
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
4-chloro-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butane-1,2-diol
CID 171894727
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
CID 171882826
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
S-[3,4-dihydroxy-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butyl] ethanethioate
CID 171876811
(6-ethoxy-3-pyridinyl)methanol
CID 10630706

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol (CID 171872420) is 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol is CCOc1ccc(C(O)C(O)CCO)cn1.
What is the InChIKey of 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is ZJHQMHIEODOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-16-10-4-3-8(7-12-10)11(15)9(14)5-6-13/h3-4,7,9,11,13-15H,2,5-6H2,1H3.
What are the key properties of 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol?
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 227.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).