3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol

C12H14BrN3O — CID 169030799

IUPAC3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol
SMILESCc1nc2cc(Br)cnc2n1C1CC(C)(O)C1
InChIInChI=1S/C12H14BrN3O/c1-7-15-10-3-8(13)6-14-11(10)16(7)9-4-12(2,17)5-9/h3,6,9,17H,4-5H2,1-2H3
InChIKeySBJILJONWGMLAD-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.59
Rot. Bonds1

About 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol

3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol (PubChem CID 169030799) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol
PubChem CID169030799
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol
SMILESCc1nc2cc(Br)cnc2n1C1CC(C)(O)C1
InChIInChI=1S/C12H14BrN3O/c1-7-15-10-3-8(13)6-14-11(10)16(7)9-4-12(2,17)5-9/h3,6,9,17H,4-5H2,1-2H3
InChIKeySBJILJONWGMLAD-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol (CID 169030799) is 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol is Cc1nc2cc(Br)cnc2n1C1CC(C)(O)C1.
What is the InChIKey of 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol?
The InChIKey is SBJILJONWGMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-15-10-3-8(13)6-14-11(10)16(7)9-4-12(2,17)5-9/h3,6,9,17H,4-5H2,1-2H3.
What are the key properties of 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol?
3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol has a molecular weight of 296.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 169030799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).