4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

C13H7FIN3O2 — CID 25028236

IUPAC4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1
InChIInChI=1S/C13H7FIN3O2/c14-8-5-16-12-10(9(8)15)17-11(18-12)6-1-3-7(4-2-6)13(19)20/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyPHUUDHMIGQMCMW-UHFFFAOYSA-N
MW383.12 g/mol
LogP3.07
Rot. Bonds2

About 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (PubChem CID 25028236) has the molecular formula C13H7FIN3O2 and a molecular weight of 383.12 g/mol. Its IUPAC name is 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
PubChem CID25028236
Molecular FormulaC13H7FIN3O2
Molecular Weight383.12 g/mol
Exact Mass382.96
IUPAC Name4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1
InChIInChI=1S/C13H7FIN3O2/c14-8-5-16-12-10(9(8)15)17-11(18-12)6-1-3-7(4-2-6)13(19)20/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyPHUUDHMIGQMCMW-UHFFFAOYSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.12
LogP ≤ 53.07
H-Bond Donors ≤ 52
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 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (CID 25028236) is 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1.
What is the InChIKey of 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The InChIKey is PHUUDHMIGQMCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FIN3O2/c14-8-5-16-12-10(9(8)15)17-11(18-12)6-1-3-7(4-2-6)13(19)20/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid has a molecular weight of 383.12 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 25028236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).