1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one

C9H13NO2 — CID 129017870

IUPAC1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C=CC=C(O)C1C
InChIInChI=1S/C9H13NO2/c1-7(11)6-10-5-3-4-9(12)8(10)2/h3-5,8,12H,6H2,1-2H3
InChIKeyGZVHKBZVWRZLGW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds2

About 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one

1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one (PubChem CID 129017870) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one
PubChem CID129017870
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C=CC=C(O)C1C
InChIInChI=1S/C9H13NO2/c1-7(11)6-10-5-3-4-9(12)8(10)2/h3-5,8,12H,6H2,1-2H3
InChIKeyGZVHKBZVWRZLGW-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one?
The IUPAC name of 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one (CID 129017870) is 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one?
The canonical SMILES for 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one is CC(=O)CN1C=CC=C(O)C1C.
What is the InChIKey of 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one?
The InChIKey is GZVHKBZVWRZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(11)6-10-5-3-4-9(12)8(10)2/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one?
1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methyl-2H-pyridin-1-yl)propan-2-one is sourced from PubChem (CID 129017870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).