3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid

C16H13Cl2NO5 — CID 58216255

IUPAC3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(CCn2c(C(=O)O)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C16H13Cl2NO5/c1-24-16(23)10-4-2-9(3-5-10)6-7-19-13(15(21)22)11(17)8-12(18)14(19)20/h2-5,8H,6-7H2,1H3,(H,21,22)
InChIKeyFFDAJHBFNAJNCM-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.88
Rot. Bonds5

About 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid

3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 58216255) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid
PubChem CID58216255
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(CCn2c(C(=O)O)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C16H13Cl2NO5/c1-24-16(23)10-4-2-9(3-5-10)6-7-19-13(15(21)22)11(17)8-12(18)14(19)20/h2-5,8H,6-7H2,1H3,(H,21,22)
InChIKeyFFDAJHBFNAJNCM-UHFFFAOYSA-N
XLogP2.88
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 67027356
methyl 4-[3-[2-(acetyloxymethyl)-3,5-dichloro-6-oxo-1-pyridinyl]propyl]benzoate
CID 59405981
4-[2-[3,5-dichloro-2-[2-(3,5-dimethoxyphenyl)ethyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid
CID 58215947
methyl 4-[2-[3,5-dichloro-2-[(3-cyclobutyloxyphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59406094
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
amino 4-[2-[3,5-dichloro-2-oxo-6-[(E)-2-phenylethenyl]-1-pyridinyl]ethyl]benzoate
CID 89098734
methyl 4-[2-[5-bromo-3-chloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59405885
methyl 4-[2-[3-chloro-5-methyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 58216096
methyl 4-[2-[3-bromo-6-(bromomethyl)-2-oxo-1-pyridinyl]ethyl]benzoate
CID 59406157
4-[2-[3,5-dichloro-2-[(2,4-dimethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid
CID 59405878
tert-butyl 4-[2-[3,5-dichloro-2-[3-(3-methoxyphenyl)propyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 68515581
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid (CID 58216255) is 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid is COC(=O)c1ccc(CCn2c(C(=O)O)c(Cl)cc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is FFDAJHBFNAJNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-24-16(23)10-4-2-9(3-5-10)6-7-19-13(15(21)22)11(17)8-12(18)14(19)20/h2-5,8H,6-7H2,1H3,(H,21,22).
What are the key properties of 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid?
3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 370.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 58216255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).