4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C18H12ClN3O — CID 155539013

IUPAC4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C18H12ClN3O/c19-13-5-1-12(2-6-13)17-15-9-10-16(20-18(15)22-21-17)11-3-7-14(23)8-4-11/h1-10,23H,(H,20,21,22)
InChIKeyXIWWTUGICZGQKO-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.65
Rot. Bonds2

About 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 155539013) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID155539013
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C18H12ClN3O/c19-13-5-1-12(2-6-13)17-15-9-10-16(20-18(15)22-21-17)11-3-7-14(23)8-4-11/h1-10,23H,(H,20,21,22)
InChIKeyXIWWTUGICZGQKO-UHFFFAOYSA-N
XLogP4.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 155539013) is 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is XIWWTUGICZGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-5-1-12(2-6-13)17-15-9-10-16(20-18(15)22-21-17)11-3-7-14(23)8-4-11/h1-10,23H,(H,20,21,22).
What are the key properties of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 321.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 155539013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).