2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid

C12H11IN4O3 — CID 68570894

IUPAC2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
SMILESO=C(Nc1cn2cc(I)ccc2n1)C1CCN1C(=O)O
InChIInChI=1S/C12H11IN4O3/c13-7-1-2-10-14-9(6-16(10)5-7)15-11(18)8-3-4-17(8)12(19)20/h1-2,5-6,8H,3-4H2,(H,15,18)(H,19,20)
InChIKeySWHVTKBQVRTHNX-UHFFFAOYSA-N
MW386.15 g/mol
LogP1.63
Rot. Bonds2

About 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid

2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid (PubChem CID 68570894) has the molecular formula C12H11IN4O3 and a molecular weight of 386.15 g/mol. Its IUPAC name is 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
PubChem CID68570894
Molecular FormulaC12H11IN4O3
Molecular Weight386.15 g/mol
Exact Mass385.99
IUPAC Name2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
SMILESO=C(Nc1cn2cc(I)ccc2n1)C1CCN1C(=O)O
InChIInChI=1S/C12H11IN4O3/c13-7-1-2-10-14-9(6-16(10)5-7)15-11(18)8-3-4-17(8)12(19)20/h1-2,5-6,8H,3-4H2,(H,15,18)(H,19,20)
InChIKeySWHVTKBQVRTHNX-UHFFFAOYSA-N
XLogP1.63
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.15
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid?
The IUPAC name of 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid (CID 68570894) is 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid?
The canonical SMILES for 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid is O=C(Nc1cn2cc(I)ccc2n1)C1CCN1C(=O)O.
What is the InChIKey of 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid?
The InChIKey is SWHVTKBQVRTHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O3/c13-7-1-2-10-14-9(6-16(10)5-7)15-11(18)8-3-4-17(8)12(19)20/h1-2,5-6,8H,3-4H2,(H,15,18)(H,19,20).
What are the key properties of 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid?
2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid has a molecular weight of 386.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 68570894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).