2,3-dihydro-1H-pyridine-4,4-diol

C5H9NO2 — CID 154013597

IUPAC2,3-dihydro-1H-pyridine-4,4-diol
SMILESOC1(O)C=CNCC1
InChIInChI=1S/C5H9NO2/c7-5(8)1-3-6-4-2-5/h1,3,6-8H,2,4H2
InChIKeyKIEBFIPSJOBEOI-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.83
Rot. Bonds

About 2,3-dihydro-1H-pyridine-4,4-diol

2,3-dihydro-1H-pyridine-4,4-diol (PubChem CID 154013597) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyridine-4,4-diol.

Molecular Properties

Compound Name2,3-dihydro-1H-pyridine-4,4-diol
PubChem CID154013597
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2,3-dihydro-1H-pyridine-4,4-diol
SMILESOC1(O)C=CNCC1
InChIInChI=1S/C5H9NO2/c7-5(8)1-3-6-4-2-5/h1,3,6-8H,2,4H2
InChIKeyKIEBFIPSJOBEOI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyridine-4,4-diol?
The IUPAC name of 2,3-dihydro-1H-pyridine-4,4-diol (CID 154013597) is 2,3-dihydro-1H-pyridine-4,4-diol.
What is the SMILES notation for 2,3-dihydro-1H-pyridine-4,4-diol?
The canonical SMILES for 2,3-dihydro-1H-pyridine-4,4-diol is OC1(O)C=CNCC1.
What is the InChIKey of 2,3-dihydro-1H-pyridine-4,4-diol?
The InChIKey is KIEBFIPSJOBEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)1-3-6-4-2-5/h1,3,6-8H,2,4H2.
What are the key properties of 2,3-dihydro-1H-pyridine-4,4-diol?
2,3-dihydro-1H-pyridine-4,4-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 2,3-dihydro-1H-pyridine-4,4-diol is sourced from PubChem (CID 154013597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).