methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate

C13H10ClNO3 — CID 142687626

IUPACmethyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(-n2ccccc2=O)c1
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)9-6-10(14)8-11(7-9)15-5-3-2-4-12(15)16/h2-8H,1H3
InChIKeyFKQGHRSUNBSKNW-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.28
Rot. Bonds2

About methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate

methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate (PubChem CID 142687626) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate
PubChem CID142687626
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(-n2ccccc2=O)c1
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)9-6-10(14)8-11(7-9)15-5-3-2-4-12(15)16/h2-8H,1H3
InChIKeyFKQGHRSUNBSKNW-UHFFFAOYSA-N
XLogP2.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-pyrrol-1-ylbenzene-1,3-dicarboxylate
CID 18945171
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
1-(3-chloro-5-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690794
methyl 3-acetyl-5-pyrrol-1-ylbenzoate
CID 18945329
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397
methyl 3-chloro-5-(2-chloropropanoyl)benzoate
CID 134648935
methyl 3-chloroindolizine-1-carboxylate
CID 102287159

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate?
The IUPAC name of methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate (CID 142687626) is methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate.
What is the SMILES notation for methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate?
The canonical SMILES for methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate is COC(=O)c1cc(Cl)cc(-n2ccccc2=O)c1.
What is the InChIKey of methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate?
The InChIKey is FKQGHRSUNBSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-13(17)9-6-10(14)8-11(7-9)15-5-3-2-4-12(15)16/h2-8H,1H3.
What are the key properties of methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate?
methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate has a molecular weight of 263.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate is sourced from PubChem (CID 142687626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).