methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

C8H6FN3O2 — CID 71721032

IUPACmethyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncc(F)cc12
InChIInChI=1S/C8H6FN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
InChIKeyLTLCSMUVOGRSBX-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.88
Rot. Bonds1

About methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (PubChem CID 71721032) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
PubChem CID71721032
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Namemethyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncc(F)cc12
InChIInChI=1S/C8H6FN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
InChIKeyLTLCSMUVOGRSBX-UHFFFAOYSA-N
XLogP0.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (CID 71721032) is methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is COC(=O)c1[nH]nc2ncc(F)cc12.
What is the InChIKey of methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The InChIKey is LTLCSMUVOGRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12).
What are the key properties of methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate has a molecular weight of 195.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 71721032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).