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

C13H7FIN3O2 — CID 174590546

IUPAC(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate
SMILESO=C(Oc1nc2ncc(F)c(I)c2[nH]1)c1ccccc1
InChIInChI=1S/C13H7FIN3O2/c14-8-6-16-11-10(9(8)15)17-13(18-11)20-12(19)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
InChIKeyBTNLAUYXPZBPMK-UHFFFAOYSA-N
MW383.12 g/mol
LogP2.92
Rot. Bonds2

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

(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate (PubChem CID 174590546) has the molecular formula C13H7FIN3O2 and a molecular weight of 383.12 g/mol. Its IUPAC name is (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate.

Molecular Properties

Compound Name(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate
PubChem CID174590546
Molecular FormulaC13H7FIN3O2
Molecular Weight383.12 g/mol
Exact Mass382.96
IUPAC Name(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate
SMILESO=C(Oc1nc2ncc(F)c(I)c2[nH]1)c1ccccc1
InChIInChI=1S/C13H7FIN3O2/c14-8-6-16-11-10(9(8)15)17-13(18-11)20-12(19)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
InChIKeyBTNLAUYXPZBPMK-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate?
The IUPAC name of (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate (CID 174590546) is (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate.
What is the SMILES notation for (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate?
The canonical SMILES for (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate is O=C(Oc1nc2ncc(F)c(I)c2[nH]1)c1ccccc1.
What is the InChIKey of (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate?
The InChIKey is BTNLAUYXPZBPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FIN3O2/c14-8-6-16-11-10(9(8)15)17-13(18-11)20-12(19)7-4-2-1-3-5-7/h1-6H,(H,16,17,18).
What are the key properties of (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate?
(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate has a molecular weight of 383.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl) benzoate is sourced from PubChem (CID 174590546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).