2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol

C19H12BrFN2O2 — CID 155114943

IUPAC2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc(-c2cccc(Br)c2O)c2ccccn12
InChIInChI=1S/C19H12BrFN2O2/c20-13-7-3-5-11(17(13)24)16-15-9-1-2-10-23(15)19(22-16)12-6-4-8-14(21)18(12)25/h1-10,24-25H
InChIKeyDUVIOMLMEFXGJB-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.98
Rot. Bonds2

About 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol

2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol (PubChem CID 155114943) has the molecular formula C19H12BrFN2O2 and a molecular weight of 399.22 g/mol. Its IUPAC name is 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol
PubChem CID155114943
Molecular FormulaC19H12BrFN2O2
Molecular Weight399.22 g/mol
Exact Mass398.01
IUPAC Name2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc(-c2cccc(Br)c2O)c2ccccn12
InChIInChI=1S/C19H12BrFN2O2/c20-13-7-3-5-11(17(13)24)16-15-9-1-2-10-23(15)19(22-16)12-6-4-8-14(21)18(12)25/h1-10,24-25H
InChIKeyDUVIOMLMEFXGJB-UHFFFAOYSA-N
XLogP4.98
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol?
The IUPAC name of 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol (CID 155114943) is 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol.
What is the SMILES notation for 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol?
The canonical SMILES for 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol is Oc1c(F)cccc1-c1nc(-c2cccc(Br)c2O)c2ccccn12.
What is the InChIKey of 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol?
The InChIKey is DUVIOMLMEFXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN2O2/c20-13-7-3-5-11(17(13)24)16-15-9-1-2-10-23(15)19(22-16)12-6-4-8-14(21)18(12)25/h1-10,24-25H.
What are the key properties of 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol?
2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol has a molecular weight of 399.22 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]-6-fluorophenol is sourced from PubChem (CID 155114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).