4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

C8H11NO4 — CID 170817384

IUPAC4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1cc(C(O)C(O)CO)cc[nH]1
InChIInChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-9-7(12)3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12)
InChIKeyDWNPASGZNSIRQK-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.24
Rot. Bonds3

About 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (PubChem CID 170817384) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
PubChem CID170817384
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1cc(C(O)C(O)CO)cc[nH]1
InChIInChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-9-7(12)3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12)
InChIKeyDWNPASGZNSIRQK-UHFFFAOYSA-N
XLogP-1.24
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (CID 170817384) is 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is O=c1cc(C(O)C(O)CO)cc[nH]1.
What is the InChIKey of 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is DWNPASGZNSIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-9-7(12)3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12).
What are the key properties of 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 185.18 g/mol, XLogP of -1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 170817384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).