ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C14H11Cl2NO3 — CID 133093124

IUPACethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C14H11Cl2NO3/c1-2-20-14(19)11-5-8(7-17-13(11)18)10-6-9(15)3-4-12(10)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyPALNGHFAXABYRR-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.53
Rot. Bonds3

About ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133093124) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133093124
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Nameethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C14H11Cl2NO3/c1-2-20-14(19)11-5-8(7-17-13(11)18)10-6-9(15)3-4-12(10)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyPALNGHFAXABYRR-UHFFFAOYSA-N
XLogP3.53
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093162
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 4-(2,5-dichlorophenyl)-2,3,5,6-tetrafluorobenzoate
CID 119005529
propyl 2,5-dichlorobenzoate
CID 43389536
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092464
ethyl 5-chloro-2-methylsulfonylbenzoate
CID 82551225
ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
CID 22897227
ethyl 6-[(2,5-dichlorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18777888
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 133093124) is ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O.
What is the InChIKey of ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PALNGHFAXABYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-2-20-14(19)11-5-8(7-17-13(11)18)10-6-9(15)3-4-12(10)16/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 312.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).