1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C10H8Cl2N2O3 — CID 168692144

IUPAC1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H8Cl2N2O3/c11-7-2-6(3-8(12)13-7)14-4-5(10(16)17)1-9(14)15/h2-3,5H,1,4H2,(H,16,17)
InChIKeyXJOUFDOVHZACNE-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692144) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692144
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H8Cl2N2O3/c11-7-2-6(3-8(12)13-7)14-4-5(10(16)17)1-9(14)15/h2-3,5H,1,4H2,(H,16,17)
InChIKeyXJOUFDOVHZACNE-UHFFFAOYSA-N
XLogP1.83
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
S-[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707114
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
(3S)-1-(4-bromo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068718
1-(4-iodo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50880512
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-(3-chloro-5-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690794
1-[3,5-bis(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 88826214
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692144) is 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XJOUFDOVHZACNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c11-7-2-6(3-8(12)13-7)14-4-5(10(16)17)1-9(14)15/h2-3,5H,1,4H2,(H,16,17).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 275.09 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).