1-hydroxy-3,4-dihydro-2H-pyridin-3-ol

C5H9NO2 — CID 172576575

IUPAC1-hydroxy-3,4-dihydro-2H-pyridin-3-ol
SMILESOC1CC=CN(O)C1
InChIInChI=1S/C5H9NO2/c7-5-2-1-3-6(8)4-5/h1,3,5,7-8H,2,4H2
InChIKeyIWENIAAHQVRMCO-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.04
Rot. Bonds

About 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol

1-hydroxy-3,4-dihydro-2H-pyridin-3-ol (PubChem CID 172576575) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2H-pyridin-3-ol
PubChem CID172576575
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-hydroxy-3,4-dihydro-2H-pyridin-3-ol
SMILESOC1CC=CN(O)C1
InChIInChI=1S/C5H9NO2/c7-5-2-1-3-6(8)4-5/h1,3,5,7-8H,2,4H2
InChIKeyIWENIAAHQVRMCO-UHFFFAOYSA-N
XLogP-0.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3,4-dihydro-2H-pyridin-3-ol
CID 130271776
1-hydroxy-3,4-dihydro-2H-pyridin-2-ol
CID 134537420
1-[Hydroxy(2-hydroxyethyl)amino]pent-4-en-2-ol
CID 155123360
1-hydroxy-3,4-dihydro-2H-pyridin-4-ol
CID 173386423
1-ethyl-3,4-dihydro-2H-pyridin-3-ol
CID 175921289

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol?
The IUPAC name of 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol (CID 172576575) is 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol is OC1CC=CN(O)C1.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol?
The InChIKey is IWENIAAHQVRMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5-2-1-3-6(8)4-5/h1,3,5,7-8H,2,4H2.
What are the key properties of 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol?
1-hydroxy-3,4-dihydro-2H-pyridin-3-ol has a molecular weight of 115.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 172576575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).