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

C14H12FN3O — CID 65482700

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(Cc3ccc(F)cc3)nc2n1
InChIInChI=1S/C14H12FN3O/c1-19-13-7-6-11-14(18-13)17-12(16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyZYOZGHLPUSIHEM-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.70
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 65482700) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID65482700
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(Cc3ccc(F)cc3)nc2n1
InChIInChI=1S/C14H12FN3O/c1-19-13-7-6-11-14(18-13)17-12(16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,17,18)
InChIKeyZYOZGHLPUSIHEM-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 65482700) is 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(Cc3ccc(F)cc3)nc2n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZYOZGHLPUSIHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-13-7-6-11-14(18-13)17-12(16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 257.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65482700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).