1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one

C9H11NO2 — CID 147791657

IUPAC1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(CO)ccn1
InChIInChI=1S/C9H11NO2/c1-7(12)4-9-5-8(6-11)2-3-10-9/h2-3,5,11H,4,6H2,1H3
InChIKeyHJTGNIKBKLNGBS-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.71
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one

1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one (PubChem CID 147791657) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
PubChem CID147791657
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(CO)ccn1
InChIInChI=1S/C9H11NO2/c1-7(12)4-9-5-8(6-11)2-3-10-9/h2-3,5,11H,4,6H2,1H3
InChIKeyHJTGNIKBKLNGBS-UHFFFAOYSA-N
XLogP0.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one (CID 147791657) is 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(CO)ccn1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one?
The InChIKey is HJTGNIKBKLNGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(12)4-9-5-8(6-11)2-3-10-9/h2-3,5,11H,4,6H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one?
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one has a molecular weight of 165.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 147791657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).