methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate

C14H10FN3O2 — CID 25179835

IUPACmethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18)
InChIKeyWXNGGFZVBXGDEC-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate

methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 25179835) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
PubChem CID25179835
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18)
InChIKeyWXNGGFZVBXGDEC-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (CID 25179835) is methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is WXNGGFZVBXGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)10-6-7-16-13-11(10)17-12(18-13)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,16,17,18).
What are the key properties of methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 271.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 25179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).