4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol

C13H10BrN3O — CID 56661685

IUPAC4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(Br)cc32)cc1
InChIInChI=1S/C13H10BrN3O/c14-10-5-12-13(15-6-10)16-8-17(12)7-9-1-3-11(18)4-2-9/h1-6,8,18H,7H2
InChIKeyKMEDLVMTFCOGHW-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.95
Rot. Bonds2

About 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol

4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol (PubChem CID 56661685) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol
PubChem CID56661685
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(Br)cc32)cc1
InChIInChI=1S/C13H10BrN3O/c14-10-5-12-13(15-6-10)16-8-17(12)7-9-1-3-11(18)4-2-9/h1-6,8,18H,7H2
InChIKeyKMEDLVMTFCOGHW-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol?
The IUPAC name of 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol (CID 56661685) is 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol is Oc1ccc(Cn2cnc3ncc(Br)cc32)cc1.
What is the InChIKey of 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol?
The InChIKey is KMEDLVMTFCOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-10-5-12-13(15-6-10)16-8-17(12)7-9-1-3-11(18)4-2-9/h1-6,8,18H,7H2.
What are the key properties of 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol?
4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol has a molecular weight of 304.15 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromoimidazo[4,5-b]pyridin-1-yl)methyl]phenol is sourced from PubChem (CID 56661685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).