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

C19H12ClFN2O2 — CID 155099221

IUPAC2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc(-c2cccc(Cl)c2O)n2ccccc12
InChIInChI=1S/C19H12ClFN2O2/c20-13-7-3-6-12(17(13)24)19-22-16(15-9-1-2-10-23(15)19)11-5-4-8-14(21)18(11)25/h1-10,24-25H
InChIKeyZGGBZSRNAJTFPR-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.87
Rot. Bonds2

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

2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol (PubChem CID 155099221) has the molecular formula C19H12ClFN2O2 and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol
PubChem CID155099221
Molecular FormulaC19H12ClFN2O2
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol
SMILESOc1c(F)cccc1-c1nc(-c2cccc(Cl)c2O)n2ccccc12
InChIInChI=1S/C19H12ClFN2O2/c20-13-7-3-6-12(17(13)24)19-22-16(15-9-1-2-10-23(15)19)11-5-4-8-14(21)18(11)25/h1-10,24-25H
InChIKeyZGGBZSRNAJTFPR-UHFFFAOYSA-N
XLogP4.87
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol?
The IUPAC name of 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol (CID 155099221) is 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol.
What is the SMILES notation for 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol?
The canonical SMILES for 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol is Oc1c(F)cccc1-c1nc(-c2cccc(Cl)c2O)n2ccccc12.
What is the InChIKey of 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol?
The InChIKey is ZGGBZSRNAJTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2/c20-13-7-3-6-12(17(13)24)19-22-16(15-9-1-2-10-23(15)19)11-5-4-8-14(21)18(11)25/h1-10,24-25H.
What are the key properties of 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol?
2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol has a molecular weight of 354.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-6-fluorophenol is sourced from PubChem (CID 155099221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).