4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one

C10H13NO2 — CID 106677539

IUPAC4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccncc1C(=O)CCCO
InChIInChI=1S/C10H13NO2/c1-8-4-5-11-7-9(8)10(13)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyOHGPDZMIORAAPZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.35
Rot. Bonds4

About 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one

4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one (PubChem CID 106677539) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
PubChem CID106677539
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccncc1C(=O)CCCO
InChIInChI=1S/C10H13NO2/c1-8-4-5-11-7-9(8)10(13)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyOHGPDZMIORAAPZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 105113394
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116596719
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
CID 103447311

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one (CID 106677539) is 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one is Cc1ccncc1C(=O)CCCO.
What is the InChIKey of 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one?
The InChIKey is OHGPDZMIORAAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-4-5-11-7-9(8)10(13)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one?
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 106677539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).