2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol

C12H7BrFN3O — CID 136789686

IUPAC2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H7BrFN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-2-1-7(14)4-10(8)18/h1-5,18H,(H,15,16,17)
InChIKeyLDVLIEJJFQACOM-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.23
Rot. Bonds1

About 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol

2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol (PubChem CID 136789686) has the molecular formula C12H7BrFN3O and a molecular weight of 308.11 g/mol. Its IUPAC name is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
PubChem CID136789686
Molecular FormulaC12H7BrFN3O
Molecular Weight308.11 g/mol
Exact Mass306.98
IUPAC Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H7BrFN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-2-1-7(14)4-10(8)18/h1-5,18H,(H,15,16,17)
InChIKeyLDVLIEJJFQACOM-UHFFFAOYSA-N
XLogP3.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
6-bromo-2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639106
6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81477184
5-fluoro-2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136789745
1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
CID 90457251
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 69375665
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 54939914
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
2-(5-bromo-2-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79796387
6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine
CID 167825631
6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
CID 60670805

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol?
The IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol (CID 136789686) is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol.
What is the SMILES notation for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol?
The canonical SMILES for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol is Oc1cc(F)ccc1-c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol?
The InChIKey is LDVLIEJJFQACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-2-1-7(14)4-10(8)18/h1-5,18H,(H,15,16,17).
What are the key properties of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol?
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol has a molecular weight of 308.11 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol is sourced from PubChem (CID 136789686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).