6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine

C14H11BrFN3 — CID 138522533

IUPAC6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C14H11BrFN3/c1-9-18-14-13(6-11(15)7-17-14)19(9)8-10-3-2-4-12(16)5-10/h2-7H,8H2,1H3
InChIKeyKWGGHPYSWIJLOF-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.69
Rot. Bonds2

About 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine

6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 138522533) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID138522533
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C14H11BrFN3/c1-9-18-14-13(6-11(15)7-17-14)19(9)8-10-3-2-4-12(16)5-10/h2-7H,8H2,1H3
InChIKeyKWGGHPYSWIJLOF-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine (CID 138522533) is 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2ncc(Br)cc2n1Cc1cccc(F)c1.
What is the InChIKey of 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is KWGGHPYSWIJLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-9-18-14-13(6-11(15)7-17-14)19(9)8-10-3-2-4-12(16)5-10/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine?
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 320.17 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 138522533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).