1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone

C10H13NO2 — CID 166906639

IUPAC1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1C[C@H](C)O
InChIInChI=1S/C10H13NO2/c1-7(12)6-10-9(8(2)13)4-3-5-11-10/h3-5,7,12H,6H2,1-2H3/t7-/m0/s1
InChIKeyXKRBPEQKODALKV-ZETCQYMHSA-N
MW179.22 g/mol
LogP1.21
Rot. Bonds3

About 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone

1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone (PubChem CID 166906639) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone
PubChem CID166906639
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1C[C@H](C)O
InChIInChI=1S/C10H13NO2/c1-7(12)6-10-9(8(2)13)4-3-5-11-10/h3-5,7,12H,6H2,1-2H3/t7-/m0/s1
InChIKeyXKRBPEQKODALKV-ZETCQYMHSA-N
XLogP1.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-(3-carboxy-2,3-dihydroxybutyl)pyridine-3-carboxylic acid
CID 175980080
1-[2-(propan-2-yloxymethyl)-3-pyridinyl]propan-1-one
CID 176934932
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 154375550

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone (CID 166906639) is 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone is CC(=O)c1cccnc1C[C@H](C)O.
What is the InChIKey of 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone?
The InChIKey is XKRBPEQKODALKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(12)6-10-9(8(2)13)4-3-5-11-10/h3-5,7,12H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone?
1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 166906639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).