2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate

C10H9F2N3O2 — CID 166291296

IUPAC2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCn1ncc2c(C(=O)OCC(F)F)ccnc21
InChIInChI=1S/C10H9F2N3O2/c1-15-9-7(4-14-15)6(2-3-13-9)10(16)17-5-8(11)12/h2-4,8H,5H2,1H3
InChIKeyQHFYTZATKPOMSF-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.39
Rot. Bonds3

About 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate

2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 166291296) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID166291296
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCn1ncc2c(C(=O)OCC(F)F)ccnc21
InChIInChI=1S/C10H9F2N3O2/c1-15-9-7(4-14-15)6(2-3-13-9)10(16)17-5-8(11)12/h2-4,8H,5H2,1H3
InChIKeyQHFYTZATKPOMSF-UHFFFAOYSA-N
XLogP1.39
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 166291296) is 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate is Cn1ncc2c(C(=O)OCC(F)F)ccnc21.
What is the InChIKey of 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is QHFYTZATKPOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-15-9-7(4-14-15)6(2-3-13-9)10(16)17-5-8(11)12/h2-4,8H,5H2,1H3.
What are the key properties of 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate?
2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 241.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 166291296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).