2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine

C14H12FN3S — CID 649231

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(SCc2ccccc2F)nc2cccnc21
InChIInChI=1S/C14H12FN3S/c1-18-13-12(7-4-8-16-13)17-14(18)19-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3
InChIKeyFFHQCGKIMJHDFG-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.40
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine

2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 649231) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
PubChem CID649231
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(SCc2ccccc2F)nc2cccnc21
InChIInChI=1S/C14H12FN3S/c1-18-13-12(7-4-8-16-13)17-14(18)19-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3
InChIKeyFFHQCGKIMJHDFG-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine (CID 649231) is 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine is Cn1c(SCc2ccccc2F)nc2cccnc21.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is FFHQCGKIMJHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-18-13-12(7-4-8-16-13)17-14(18)19-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine?
2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 273.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 649231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).