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

C7H6ClNO3 — CID 14049647

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C7H6ClNO3/c1-4(10)12-6-2-7(11)9-3-5(6)8/h2-3H,1H3,(H,9,11)
InChIKeyWKNFSOJIZMYCBM-UHFFFAOYSA-N
MW187.58 g/mol
LogP0.95
Rot. Bonds1

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

(5-chloro-2-oxo-1H-pyridin-4-yl) acetate (PubChem CID 14049647) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) acetate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) acetate
PubChem CID14049647
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C7H6ClNO3/c1-4(10)12-6-2-7(11)9-3-5(6)8/h2-3H,1H3,(H,9,11)
InChIKeyWKNFSOJIZMYCBM-UHFFFAOYSA-N
XLogP0.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) acetate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) acetate (CID 14049647) is (5-chloro-2-oxo-1H-pyridin-4-yl) acetate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) acetate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) acetate is CC(=O)Oc1cc(=O)[nH]cc1Cl.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) acetate?
The InChIKey is WKNFSOJIZMYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-4(10)12-6-2-7(11)9-3-5(6)8/h2-3H,1H3,(H,9,11).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) acetate?
(5-chloro-2-oxo-1H-pyridin-4-yl) acetate has a molecular weight of 187.58 g/mol, XLogP of 0.95, 1 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) acetate is sourced from PubChem (CID 14049647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).