2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol

C18H11ClFN3O2 — CID 163234287

IUPAC2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)cnc32)ccc1F
InChIInChI=1S/C18H11ClFN3O2/c19-14-6-10(1-4-16(14)24)11-5-12-9-22-23(18(12)21-8-11)13-2-3-15(20)17(25)7-13/h1-9,24-25H
InChIKeyVMPFPUXNXAZFEF-UHFFFAOYSA-N
MW355.76 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol

2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol (PubChem CID 163234287) has the molecular formula C18H11ClFN3O2 and a molecular weight of 355.76 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
PubChem CID163234287
Molecular FormulaC18H11ClFN3O2
Molecular Weight355.76 g/mol
Exact Mass355.05
IUPAC Name2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)cnc32)ccc1F
InChIInChI=1S/C18H11ClFN3O2/c19-14-6-10(1-4-16(14)24)11-5-12-9-22-23(18(12)21-8-11)13-2-3-15(20)17(25)7-13/h1-9,24-25H
InChIKeyVMPFPUXNXAZFEF-UHFFFAOYSA-N
XLogP4.29
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine
CID 163234429
2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
CID 163233753
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
CID 163234220
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid;3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
CID 174185433
5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]pyridin-3-ol
CID 163234260
2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
CID 170685629
5-(5-bromoindazol-1-yl)-2-fluorophenol
CID 163234294
5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
CID 163234142
2-chloro-4-(5-fluoro-3-pyridinyl)phenol
CID 83131119
1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
CID 171048601
2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
CID 163234650
2-chloro-4-(3,4,5-trifluorophenyl)phenol
CID 83130414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol?
The IUPAC name of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol (CID 163234287) is 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol is Oc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)cnc32)ccc1F.
What is the InChIKey of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol?
The InChIKey is VMPFPUXNXAZFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O2/c19-14-6-10(1-4-16(14)24)11-5-12-9-22-23(18(12)21-8-11)13-2-3-15(20)17(25)7-13/h1-9,24-25H.
What are the key properties of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol?
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol has a molecular weight of 355.76 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol is sourced from PubChem (CID 163234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).