6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine

C13H16BrN3 — CID 74789553

IUPAC6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
SMILESCc1c(Br)cnc2c1ncn2C1CCCCC1
InChIInChI=1S/C13H16BrN3/c1-9-11(14)7-15-13-12(9)16-8-17(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyFBRZXQFUVFHFDU-UHFFFAOYSA-N
MW294.20 g/mol
LogP4.01
Rot. Bonds1

About 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine

6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine (PubChem CID 74789553) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
PubChem CID74789553
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
SMILESCc1c(Br)cnc2c1ncn2C1CCCCC1
InChIInChI=1S/C13H16BrN3/c1-9-11(14)7-15-13-12(9)16-8-17(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyFBRZXQFUVFHFDU-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine (CID 74789553) is 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine is Cc1c(Br)cnc2c1ncn2C1CCCCC1.
What is the InChIKey of 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The InChIKey is FBRZXQFUVFHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-11(14)7-15-13-12(9)16-8-17(13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine has a molecular weight of 294.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 74789553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).