6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid

C8H5IN2O2 — CID 162363991

IUPAC6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1ncn2cc(I)ccc12
InChIInChI=1S/C8H5IN2O2/c9-5-1-2-6-7(8(12)13)10-4-11(6)3-5/h1-4H,(H,12,13)
InChIKeyPBSXWXOJUBNULN-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.64
Rot. Bonds1

About 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid

6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 162363991) has the molecular formula C8H5IN2O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID162363991
Molecular FormulaC8H5IN2O2
Molecular Weight288.04 g/mol
Exact Mass287.94
IUPAC Name6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1ncn2cc(I)ccc12
InChIInChI=1S/C8H5IN2O2/c9-5-1-2-6-7(8(12)13)10-4-11(6)3-5/h1-4H,(H,12,13)
InChIKeyPBSXWXOJUBNULN-UHFFFAOYSA-N
XLogP1.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.64
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 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid (CID 162363991) is 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1ncn2cc(I)ccc12.
What is the InChIKey of 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PBSXWXOJUBNULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2/c9-5-1-2-6-7(8(12)13)10-4-11(6)3-5/h1-4H,(H,12,13).
What are the key properties of 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid?
6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 288.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodoimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 162363991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).