6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid

C9H8INO3 — CID 71299040

IUPAC6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(I)nc2c1OCCC2
InChIInChI=1S/C9H8INO3/c10-7-4-5(9(12)13)8-6(11-7)2-1-3-14-8/h4H,1-3H2,(H,12,13)
InChIKeyYILXTUKWZXNMFP-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.71
Rot. Bonds1

About 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid

6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid (PubChem CID 71299040) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid
PubChem CID71299040
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(I)nc2c1OCCC2
InChIInChI=1S/C9H8INO3/c10-7-4-5(9(12)13)8-6(11-7)2-1-3-14-8/h4H,1-3H2,(H,12,13)
InChIKeyYILXTUKWZXNMFP-UHFFFAOYSA-N
XLogP1.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid?
The IUPAC name of 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid (CID 71299040) is 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid.
What is the SMILES notation for 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid?
The canonical SMILES for 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid is O=C(O)c1cc(I)nc2c1OCCC2.
What is the InChIKey of 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid?
The InChIKey is YILXTUKWZXNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c10-7-4-5(9(12)13)8-6(11-7)2-1-3-14-8/h4H,1-3H2,(H,12,13).
What are the key properties of 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid?
6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid has a molecular weight of 305.07 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3,4-dihydro-2H-pyrano[3,2-b]pyridine-8-carboxylic acid is sourced from PubChem (CID 71299040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).