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

C12H7BrClN3O — CID 135557981

IUPAC2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H7BrClN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-4-7(14)1-2-10(8)18/h1-5,18H,(H,15,16,17)
InChIKeyVHTJLYHVTCRKLT-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.75
Rot. Bonds1

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

2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol (PubChem CID 135557981) has the molecular formula C12H7BrClN3O and a molecular weight of 324.57 g/mol. Its IUPAC name is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol
PubChem CID135557981
Molecular FormulaC12H7BrClN3O
Molecular Weight324.57 g/mol
Exact Mass322.95
IUPAC Name2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C12H7BrClN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-4-7(14)1-2-10(8)18/h1-5,18H,(H,15,16,17)
InChIKeyVHTJLYHVTCRKLT-UHFFFAOYSA-N
XLogP3.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol?
The IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol (CID 135557981) is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol.
What is the SMILES notation for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol?
The canonical SMILES for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol is Oc1ccc(Cl)cc1-c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol?
The InChIKey is VHTJLYHVTCRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O/c13-6-3-9-12(15-5-6)17-11(16-9)8-4-7(14)1-2-10(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)-4-chlorophenol?
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenol has a molecular weight of 324.57 g/mol, XLogP of 3.75, 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)-4-chlorophenol is sourced from PubChem (CID 135557981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).