1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one

C9H13NO3 — CID 70376735

IUPAC1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1CC(O)CO
InChIInChI=1S/C9H13NO3/c1-7-4-8(12)2-3-10(7)5-9(13)6-11/h2-4,9,11,13H,5-6H2,1H3
InChIKeyCOKYMNVQZVBSFW-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.49
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one

1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one (PubChem CID 70376735) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one
PubChem CID70376735
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1CC(O)CO
InChIInChI=1S/C9H13NO3/c1-7-4-8(12)2-3-10(7)5-9(13)6-11/h2-4,9,11,13H,5-6H2,1H3
InChIKeyCOKYMNVQZVBSFW-UHFFFAOYSA-N
XLogP-0.49
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one (CID 70376735) is 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one is Cc1cc(=O)ccn1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one?
The InChIKey is COKYMNVQZVBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-4-8(12)2-3-10(7)5-9(13)6-11/h2-4,9,11,13H,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one?
1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-2-methylpyridin-4-one is sourced from PubChem (CID 70376735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).