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

C8H8ClNO3 — CID 130656120

IUPACmethyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11)
InChIKeyLEZWDGLIUSDVAH-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.74
Rot. Bonds2

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

methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate (PubChem CID 130656120) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate
PubChem CID130656120
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namemethyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11)
InChIKeyLEZWDGLIUSDVAH-UHFFFAOYSA-N
XLogP0.74
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[4-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171014254
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
[4-chloro-3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 167741195
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-(3-oxo-1,2-dihydropyrazol-4-yl)acetate
CID 125106253
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(2,5-dibromo-3-chlorophenyl)acetate
CID 171033937
methyl 2-[4-(bromomethyl)-2,6-dichlorophenyl]acetate
CID 59419500
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate (CID 130656120) is methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]cc1Cl.
What is the InChIKey of methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate?
The InChIKey is LEZWDGLIUSDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-8(12)3-5-2-7(11)10-4-6(5)9/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate?
methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate has a molecular weight of 201.61 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate is sourced from PubChem (CID 130656120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).