2,3,4,5-tetrahydropyridine-3,4,5-triol

C5H9NO3 — CID 68621538

IUPAC2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESOC1C=NCC(O)C1O
InChIInChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h1,3-5,7-9H,2H2
InChIKeyHHAUJQNCRMPWRN-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.85
Rot. Bonds

About 2,3,4,5-tetrahydropyridine-3,4,5-triol

2,3,4,5-tetrahydropyridine-3,4,5-triol (PubChem CID 68621538) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3,4,5-triol.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3,4,5-triol
PubChem CID68621538
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESOC1C=NCC(O)C1O
InChIInChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h1,3-5,7-9H,2H2
InChIKeyHHAUJQNCRMPWRN-UHFFFAOYSA-N
XLogP-1.85
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-3,4,5-triol?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3,4,5-triol (CID 68621538) is 2,3,4,5-tetrahydropyridine-3,4,5-triol.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3,4,5-triol?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3,4,5-triol is OC1C=NCC(O)C1O.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3,4,5-triol?
The InChIKey is HHAUJQNCRMPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h1,3-5,7-9H,2H2.
What are the key properties of 2,3,4,5-tetrahydropyridine-3,4,5-triol?
2,3,4,5-tetrahydropyridine-3,4,5-triol has a molecular weight of 131.13 g/mol, XLogP of -1.85, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-3,4,5-triol is sourced from PubChem (CID 68621538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).