6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine

C15H14FN3O — CID 89433804

IUPAC6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(C(C)c2nc3ncc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H14FN3O/c1-9(10-3-5-12(20-2)6-4-10)14-18-13-7-11(16)8-17-15(13)19-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyPCJPULNIAONYOS-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.26
Rot. Bonds3

About 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 89433804) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID89433804
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(C(C)c2nc3ncc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H14FN3O/c1-9(10-3-5-12(20-2)6-4-10)14-18-13-7-11(16)8-17-15(13)19-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyPCJPULNIAONYOS-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 89433804) is 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(C(C)c2nc3ncc(F)cc3[nH]2)cc1.
What is the InChIKey of 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PCJPULNIAONYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9(10-3-5-12(20-2)6-4-10)14-18-13-7-11(16)8-17-15(13)19-14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 271.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 89433804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).