6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C14H8ClF4N3O2 — CID 150807748

IUPAC6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)c(O)c(-c3c(F)cccc3Cl)[nH]c21
InChIInChI=1S/C14H8ClF4N3O2/c1-22-13-8(12(21-22)14(17,18)19)10(23)11(24)9(20-13)7-5(15)3-2-4-6(7)16/h2-4,24H,1H3,(H,20,23)
InChIKeyKHFPLACRYWMZJP-UHFFFAOYSA-N
MW361.68 g/mol
LogP3.45
Rot. Bonds1

About 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 150807748) has the molecular formula C14H8ClF4N3O2 and a molecular weight of 361.68 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID150807748
Molecular FormulaC14H8ClF4N3O2
Molecular Weight361.68 g/mol
Exact Mass361.02
IUPAC Name6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)c(O)c(-c3c(F)cccc3Cl)[nH]c21
InChIInChI=1S/C14H8ClF4N3O2/c1-22-13-8(12(21-22)14(17,18)19)10(23)11(24)9(20-13)7-5(15)3-2-4-6(7)16/h2-4,24H,1H3,(H,20,23)
InChIKeyKHFPLACRYWMZJP-UHFFFAOYSA-N
XLogP3.45
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 150807748) is 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is Cn1nc(C(F)(F)F)c2c(=O)c(O)c(-c3c(F)cccc3Cl)[nH]c21.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KHFPLACRYWMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N3O2/c1-22-13-8(12(21-22)14(17,18)19)10(23)11(24)9(20-13)7-5(15)3-2-4-6(7)16/h2-4,24H,1H3,(H,20,23).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 361.68 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 150807748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).