(3S)-2,3-dihydropyridin-3-ol

C5H7NO — CID 173495714

IUPAC(3S)-2,3-dihydropyridin-3-ol
SMILESO[C@H]1C=CC=NC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,5,7H,4H2/t5-/m0/s1
InChIKeyPIACPEYGGNQYBZ-YFKPBYRVSA-N
MW97.12 g/mol
LogP-0.01
Rot. Bonds

About (3S)-2,3-dihydropyridin-3-ol

(3S)-2,3-dihydropyridin-3-ol (PubChem CID 173495714) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (3S)-2,3-dihydropyridin-3-ol.

Molecular Properties

Compound Name(3S)-2,3-dihydropyridin-3-ol
PubChem CID173495714
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(3S)-2,3-dihydropyridin-3-ol
SMILESO[C@H]1C=CC=NC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,5,7H,4H2/t5-/m0/s1
InChIKeyPIACPEYGGNQYBZ-YFKPBYRVSA-N
XLogP-0.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dihydropyridin-3-ol?
The IUPAC name of (3S)-2,3-dihydropyridin-3-ol (CID 173495714) is (3S)-2,3-dihydropyridin-3-ol.
What is the SMILES notation for (3S)-2,3-dihydropyridin-3-ol?
The canonical SMILES for (3S)-2,3-dihydropyridin-3-ol is O[C@H]1C=CC=NC1.
What is the InChIKey of (3S)-2,3-dihydropyridin-3-ol?
The InChIKey is PIACPEYGGNQYBZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h1-3,5,7H,4H2/t5-/m0/s1.
What are the key properties of (3S)-2,3-dihydropyridin-3-ol?
(3S)-2,3-dihydropyridin-3-ol has a molecular weight of 97.12 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dihydropyridin-3-ol is sourced from PubChem (CID 173495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).