methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C13H10ClNO3 — CID 66490191

IUPACmethyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyBTQLCSFPWCLGHF-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.48
Rot. Bonds2

About methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 66490191) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID66490191
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C13H10ClNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyBTQLCSFPWCLGHF-UHFFFAOYSA-N
XLogP2.48
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 66490191) is methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BTQLCSFPWCLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-13(17)10-6-7-11(15-12(10)16)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66490191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).