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

C10H8ClIN2O3 — CID 168691565

IUPAC1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2c(Cl)cncc2I)C1
InChIInChI=1S/C10H8ClIN2O3/c11-6-2-13-3-7(12)9(6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17)
InChIKeyRCMFZUPSDPECTC-UHFFFAOYSA-N
MW366.54 g/mol
LogP1.78
Rot. Bonds2

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

1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691565) has the molecular formula C10H8ClIN2O3 and a molecular weight of 366.54 g/mol. Its IUPAC name is 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691565
Molecular FormulaC10H8ClIN2O3
Molecular Weight366.54 g/mol
Exact Mass365.93
IUPAC Name1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2c(Cl)cncc2I)C1
InChIInChI=1S/C10H8ClIN2O3/c11-6-2-13-3-7(12)9(6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17)
InChIKeyRCMFZUPSDPECTC-UHFFFAOYSA-N
XLogP1.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691565) is 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2c(Cl)cncc2I)C1.
What is the InChIKey of 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is RCMFZUPSDPECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN2O3/c11-6-2-13-3-7(12)9(6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17).
What are the key properties of 1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 366.54 g/mol, XLogP of 1.78, 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-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).