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

C14H9FIN3O2 — CID 25028233

IUPACmethyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1
InChIInChI=1S/C14H9FIN3O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-11-10(16)9(15)6-17-13(11)19-12/h2-6H,1H3,(H,17,18,19)
InChIKeyKGOHNBDUDKZRLZ-UHFFFAOYSA-N
MW397.15 g/mol
LogP3.16
Rot. Bonds2

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

methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate (PubChem CID 25028233) has the molecular formula C14H9FIN3O2 and a molecular weight of 397.15 g/mol. Its IUPAC name is methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
PubChem CID25028233
Molecular FormulaC14H9FIN3O2
Molecular Weight397.15 g/mol
Exact Mass396.97
IUPAC Namemethyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1
InChIInChI=1S/C14H9FIN3O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-11-10(16)9(15)6-17-13(11)19-12/h2-6H,1H3,(H,17,18,19)
InChIKeyKGOHNBDUDKZRLZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.15
LogP ≤ 53.16
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 methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate (CID 25028233) is methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate is COC(=O)c1ccc(-c2nc3ncc(F)c(I)c3[nH]2)cc1.
What is the InChIKey of methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The InChIKey is KGOHNBDUDKZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FIN3O2/c1-21-14(20)8-4-2-7(3-5-8)12-18-11-10(16)9(15)6-17-13(11)19-12/h2-6H,1H3,(H,17,18,19).
What are the key properties of methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate has a molecular weight of 397.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-fluoro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 25028233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).