(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol

C11H15NO4 — CID 10242766

IUPAC(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol
SMILESCC[C@]1(O)c2ccnc(OC)c2CO[C@H]1O
InChIInChI=1S/C11H15NO4/c1-3-11(14)8-4-5-12-9(15-2)7(8)6-16-10(11)13/h4-5,10,13-14H,3,6H2,1-2H3/t10-,11+/m1/s1
InChIKeySXMSMDPWPRSVQT-MNOVXSKESA-N
MW225.24 g/mol
LogP0.54
Rot. Bonds2

About (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol

(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol (PubChem CID 10242766) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol
PubChem CID10242766
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol
SMILESCC[C@]1(O)c2ccnc(OC)c2CO[C@H]1O
InChIInChI=1S/C11H15NO4/c1-3-11(14)8-4-5-12-9(15-2)7(8)6-16-10(11)13/h4-5,10,13-14H,3,6H2,1-2H3/t10-,11+/m1/s1
InChIKeySXMSMDPWPRSVQT-MNOVXSKESA-N
XLogP0.54
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol?
The IUPAC name of (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol (CID 10242766) is (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol.
What is the SMILES notation for (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol?
The canonical SMILES for (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol is CC[C@]1(O)c2ccnc(OC)c2CO[C@H]1O.
What is the InChIKey of (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol?
The InChIKey is SXMSMDPWPRSVQT-MNOVXSKESA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-11(14)8-4-5-12-9(15-2)7(8)6-16-10(11)13/h4-5,10,13-14H,3,6H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol?
(3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol has a molecular weight of 225.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethyl-8-methoxy-1,3-dihydropyrano[3,4-c]pyridine-3,4-diol is sourced from PubChem (CID 10242766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).