1,2-dihydropyridin-3-ol

C5H7NO — CID 18692683

IUPAC1,2-dihydropyridin-3-ol
SMILESOC1=CC=CNC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,6-7H,4H2
InChIKeyXSEHBPXXAIDEFE-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.55
Rot. Bonds

About 1,2-dihydropyridin-3-ol

1,2-dihydropyridin-3-ol (PubChem CID 18692683) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name1,2-dihydropyridin-3-ol
PubChem CID18692683
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1,2-dihydropyridin-3-ol
SMILESOC1=CC=CNC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,6-7H,4H2
InChIKeyXSEHBPXXAIDEFE-UHFFFAOYSA-N
XLogP0.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-3-ol?
The IUPAC name of 1,2-dihydropyridin-3-ol (CID 18692683) is 1,2-dihydropyridin-3-ol.
What is the SMILES notation for 1,2-dihydropyridin-3-ol?
The canonical SMILES for 1,2-dihydropyridin-3-ol is OC1=CC=CNC1.
What is the InChIKey of 1,2-dihydropyridin-3-ol?
The InChIKey is XSEHBPXXAIDEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,6-7H,4H2.
What are the key properties of 1,2-dihydropyridin-3-ol?
1,2-dihydropyridin-3-ol has a molecular weight of 97.12 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-3-ol is sourced from PubChem (CID 18692683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).