1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C14H10Cl2N2O4 — CID 82107997

IUPAC1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cccc(C(=O)O)c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O4/c15-8-4-9(16)6-10(5-8)17-12(19)7-18-3-1-2-11(13(18)20)14(21)22/h1-6H,7H2,(H,17,19)(H,21,22)
InChIKeyWVRDCVUWBIFNND-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 82107997) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID82107997
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cccc(C(=O)O)c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O4/c15-8-4-9(16)6-10(5-8)17-12(19)7-18-3-1-2-11(13(18)20)14(21)22/h1-6H,7H2,(H,17,19)(H,21,22)
InChIKeyWVRDCVUWBIFNND-UHFFFAOYSA-N
XLogP2.49
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107996
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107998
1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107940
N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide
CID 87584759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 82107997) is 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is O=C(Cn1cccc(C(=O)O)c1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is WVRDCVUWBIFNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-8-4-9(16)6-10(5-8)17-12(19)7-18-3-1-2-11(13(18)20)14(21)22/h1-6H,7H2,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 341.15 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82107997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).