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

C5H8N2O2 — CID 12566098

IUPAC1-nitroso-3,4-dihydro-2H-pyridin-4-ol
SMILESO=NN1C=CC(O)CC1
InChIInChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1,3,5,8H,2,4H2
InChIKeyCNVSDUVNTURYPW-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.25
Rot. Bonds1

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

1-nitroso-3,4-dihydro-2H-pyridin-4-ol (PubChem CID 12566098) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-nitroso-3,4-dihydro-2H-pyridin-4-ol.

Molecular Properties

Compound Name1-nitroso-3,4-dihydro-2H-pyridin-4-ol
PubChem CID12566098
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-nitroso-3,4-dihydro-2H-pyridin-4-ol
SMILESO=NN1C=CC(O)CC1
InChIInChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1,3,5,8H,2,4H2
InChIKeyCNVSDUVNTURYPW-UHFFFAOYSA-N
XLogP0.25
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-3,4-dihydro-2H-pyridin-4-ol?
The IUPAC name of 1-nitroso-3,4-dihydro-2H-pyridin-4-ol (CID 12566098) is 1-nitroso-3,4-dihydro-2H-pyridin-4-ol.
What is the SMILES notation for 1-nitroso-3,4-dihydro-2H-pyridin-4-ol?
The canonical SMILES for 1-nitroso-3,4-dihydro-2H-pyridin-4-ol is O=NN1C=CC(O)CC1.
What is the InChIKey of 1-nitroso-3,4-dihydro-2H-pyridin-4-ol?
The InChIKey is CNVSDUVNTURYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1,3,5,8H,2,4H2.
What are the key properties of 1-nitroso-3,4-dihydro-2H-pyridin-4-ol?
1-nitroso-3,4-dihydro-2H-pyridin-4-ol has a molecular weight of 128.13 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-3,4-dihydro-2H-pyridin-4-ol is sourced from PubChem (CID 12566098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).