(3-hydroxy-2-pyridin-2-ylpropyl) acetate

C10H13NO3 — CID 22101011

IUPAC(3-hydroxy-2-pyridin-2-ylpropyl) acetate
SMILESCC(=O)OCC(CO)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-8(13)14-7-9(6-12)10-4-2-3-5-11-10/h2-5,9,12H,6-7H2,1H3
InChIKeyZBLGQCGEPVYPAG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds4

About (3-hydroxy-2-pyridin-2-ylpropyl) acetate

(3-hydroxy-2-pyridin-2-ylpropyl) acetate (PubChem CID 22101011) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-hydroxy-2-pyridin-2-ylpropyl) acetate.

Molecular Properties

Compound Name(3-hydroxy-2-pyridin-2-ylpropyl) acetate
PubChem CID22101011
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3-hydroxy-2-pyridin-2-ylpropyl) acetate
SMILESCC(=O)OCC(CO)c1ccccn1
InChIInChI=1S/C10H13NO3/c1-8(13)14-7-9(6-12)10-4-2-3-5-11-10/h2-5,9,12H,6-7H2,1H3
InChIKeyZBLGQCGEPVYPAG-UHFFFAOYSA-N
XLogP0.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-pyridin-2-ylpropyl) carbamate
CID 10420201
2-(3-hydroxy-2-pyridin-2-ylpropoxy)phenol
CID 117241436
(2,3-diacetyloxy-3-pyridin-2-ylpropyl) acetate
CID 134835456
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate
CID 140972130
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
[2-(4-bromophenyl)-3-hydroxypropyl] acetate
CID 66718437
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
ethane;2-pentan-3-ylpyridine
CID 142883968

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridin-2-ylpropyl) acetate?
The IUPAC name of (3-hydroxy-2-pyridin-2-ylpropyl) acetate (CID 22101011) is (3-hydroxy-2-pyridin-2-ylpropyl) acetate.
What is the SMILES notation for (3-hydroxy-2-pyridin-2-ylpropyl) acetate?
The canonical SMILES for (3-hydroxy-2-pyridin-2-ylpropyl) acetate is CC(=O)OCC(CO)c1ccccn1.
What is the InChIKey of (3-hydroxy-2-pyridin-2-ylpropyl) acetate?
The InChIKey is ZBLGQCGEPVYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(13)14-7-9(6-12)10-4-2-3-5-11-10/h2-5,9,12H,6-7H2,1H3.
What are the key properties of (3-hydroxy-2-pyridin-2-ylpropyl) acetate?
(3-hydroxy-2-pyridin-2-ylpropyl) acetate has a molecular weight of 195.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridin-2-ylpropyl) acetate is sourced from PubChem (CID 22101011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).