1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one

C9H13NO4 — CID 10798050

IUPAC1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(CO)CO
InChIInChI=1S/C9H13NO4/c1-6-9(14)8(13)2-3-10(6)7(4-11)5-12/h2-3,7,11-12,14H,4-5H2,1H3
InChIKeyZAENIDRSGRDVAI-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.61
Rot. Bonds3

About 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one

1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 10798050) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID10798050
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(CO)CO
InChIInChI=1S/C9H13NO4/c1-6-9(14)8(13)2-3-10(6)7(4-11)5-12/h2-3,7,11-12,14H,4-5H2,1H3
InChIKeyZAENIDRSGRDVAI-UHFFFAOYSA-N
XLogP-0.61
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one (CID 10798050) is 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C(CO)CO.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is ZAENIDRSGRDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6-9(14)8(13)2-3-10(6)7(4-11)5-12/h2-3,7,11-12,14H,4-5H2,1H3.
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one?
1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 199.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 10798050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).