3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

C8H11NO5 — CID 170817624

IUPAC3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CO)cc1O
InChIInChI=1S/C8H11NO5/c10-3-6(12)7(13)4-1-5(11)8(14)9-2-4/h1-2,6-7,10-13H,3H2,(H,9,14)
InChIKeyIFNVBTMUFBMNES-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.53
Rot. Bonds3

About 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (PubChem CID 170817624) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
PubChem CID170817624
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CO)cc1O
InChIInChI=1S/C8H11NO5/c10-3-6(12)7(13)4-1-5(11)8(14)9-2-4/h1-2,6-7,10-13H,3H2,(H,9,14)
InChIKeyIFNVBTMUFBMNES-UHFFFAOYSA-N
XLogP-1.53
TPSA113.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (CID 170817624) is 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is O=c1[nH]cc(C(O)C(O)CO)cc1O.
What is the InChIKey of 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is IFNVBTMUFBMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c10-3-6(12)7(13)4-1-5(11)8(14)9-2-4/h1-2,6-7,10-13H,3H2,(H,9,14).
What are the key properties of 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 201.18 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 170817624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).