1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C11H11ClN2O3 — CID 168691216

IUPAC1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cncc(Cl)c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11ClN2O3/c1-6-3-13-4-8(12)10(6)14-5-7(11(16)17)2-9(14)15/h3-4,7H,2,5H2,1H3,(H,16,17)
InChIKeyPGRZQMWVJDMKAA-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691216) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691216
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cncc(Cl)c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11ClN2O3/c1-6-3-13-4-8(12)10(6)14-5-7(11(16)17)2-9(14)15/h3-4,7H,2,5H2,1H3,(H,16,17)
InChIKeyPGRZQMWVJDMKAA-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691565
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691617
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691023
1-(2-carboxy-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691050
methyl 1-(2,4-dichloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693855
(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)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(2-chlorophenyl) (3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057607

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691216) is 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is Cc1cncc(Cl)c1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PGRZQMWVJDMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6-3-13-4-8(12)10(6)14-5-7(11(16)17)2-9(14)15/h3-4,7H,2,5H2,1H3,(H,16,17).
What are the key properties of 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 254.67 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).