1,2,3,4-tetrahydropyridine-2,4-diol

C5H9NO2 — CID 151698160

IUPAC1,2,3,4-tetrahydropyridine-2,4-diol
SMILESOC1C=CNC(O)C1
InChIInChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h1-2,4-8H,3H2
InChIKeyGHMTXBUCNUYJOD-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.83
Rot. Bonds

About 1,2,3,4-tetrahydropyridine-2,4-diol

1,2,3,4-tetrahydropyridine-2,4-diol (PubChem CID 151698160) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridine-2,4-diol.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridine-2,4-diol
PubChem CID151698160
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1,2,3,4-tetrahydropyridine-2,4-diol
SMILESOC1C=CNC(O)C1
InChIInChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h1-2,4-8H,3H2
InChIKeyGHMTXBUCNUYJOD-UHFFFAOYSA-N
XLogP-0.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridine-2,4-diol?
The IUPAC name of 1,2,3,4-tetrahydropyridine-2,4-diol (CID 151698160) is 1,2,3,4-tetrahydropyridine-2,4-diol.
What is the SMILES notation for 1,2,3,4-tetrahydropyridine-2,4-diol?
The canonical SMILES for 1,2,3,4-tetrahydropyridine-2,4-diol is OC1C=CNC(O)C1.
What is the InChIKey of 1,2,3,4-tetrahydropyridine-2,4-diol?
The InChIKey is GHMTXBUCNUYJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h1-2,4-8H,3H2.
What are the key properties of 1,2,3,4-tetrahydropyridine-2,4-diol?
1,2,3,4-tetrahydropyridine-2,4-diol has a molecular weight of 115.13 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridine-2,4-diol is sourced from PubChem (CID 151698160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).