(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate

C9H10ClNO3 — CID 14049644

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate
SMILESCCCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-2-3-9(13)14-7-4-8(12)11-5-6(7)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyZSSXSLSTGBNKBS-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.73
Rot. Bonds3

About (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate

(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate (PubChem CID 14049644) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate
PubChem CID14049644
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate
SMILESCCCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-2-3-9(13)14-7-4-8(12)11-5-6(7)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyZSSXSLSTGBNKBS-UHFFFAOYSA-N
XLogP1.73
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hexanoyloxy-5-chloro-2-pyridone
CID 14049645
4-Acetoxy-5-chloro-2-pyridone
CID 14049647
4-Propanoyloxy-2-pyridone
CID 14049664
2-Oxo-1,2-dihydropyridin-4-yl pentanoate
CID 14049673
5-chloro-4-ethoxy-1H-pyridin-2-one
CID 119093250

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate (CID 14049644) is (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate is CCCC(=O)Oc1cc(=O)[nH]cc1Cl.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate?
The InChIKey is ZSSXSLSTGBNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-3-9(13)14-7-4-8(12)11-5-6(7)10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate?
(5-chloro-2-oxo-1H-pyridin-4-yl) butanoate has a molecular weight of 215.64 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl) butanoate is sourced from PubChem (CID 14049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).