4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid

C10H10ClN3O3 — CID 168701054

IUPAC4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC1CC(=O)N(c2cc(Cl)ncc2C(=O)O)C1
InChIInChI=1S/C10H10ClN3O3/c11-8-2-7(6(3-13-8)10(16)17)14-4-5(12)1-9(14)15/h2-3,5H,1,4,12H2,(H,16,17)
InChIKeyUZTATPPOCUQXHG-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.50
Rot. Bonds2

About 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid

4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid (PubChem CID 168701054) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
PubChem CID168701054
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC1CC(=O)N(c2cc(Cl)ncc2C(=O)O)C1
InChIInChI=1S/C10H10ClN3O3/c11-8-2-7(6(3-13-8)10(16)17)14-4-5(12)1-9(14)15/h2-3,5H,1,4,12H2,(H,16,17)
InChIKeyUZTATPPOCUQXHG-UHFFFAOYSA-N
XLogP0.50
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-carboxy-2-oxopyrrolidin-1-yl)-2-chloropyridine-4-carboxylic acid
CID 168691533
5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168700498
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
CID 168701052
2-(4-amino-2-oxopyrrolidin-1-yl)-5-cyanobenzoic acid
CID 168700713
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
methyl 2-(4-amino-2-oxopyrrolidin-1-yl)-4,5-difluorobenzoate
CID 168699418
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid (CID 168701054) is 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid is NC1CC(=O)N(c2cc(Cl)ncc2C(=O)O)C1.
What is the InChIKey of 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The InChIKey is UZTATPPOCUQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-8-2-7(6(3-13-8)10(16)17)14-4-5(12)1-9(14)15/h2-3,5H,1,4,12H2,(H,16,17).
What are the key properties of 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid?
4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 168701054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).