6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

C8H5FN3O2- — CID 77230467

IUPAC6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCn1nc(C(=O)[O-])c2ccc(F)nc21
InChIInChI=1S/C8H6FN3O2/c1-12-7-4(2-3-5(9)10-7)6(11-12)8(13)14/h2-3H,1H3,(H,13,14)/p-1
InChIKeyCJPVSRAWEUGOHT-UHFFFAOYSA-M
MW194.15 g/mol
LogP-0.53
Rot. Bonds1

About 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate

6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 77230467) has the molecular formula C8H5FN3O2- and a molecular weight of 194.15 g/mol. Its IUPAC name is 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Name6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID77230467
Molecular FormulaC8H5FN3O2-
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCn1nc(C(=O)[O-])c2ccc(F)nc21
InChIInChI=1S/C8H6FN3O2/c1-12-7-4(2-3-5(9)10-7)6(11-12)8(13)14/h2-3H,1H3,(H,13,14)/p-1
InChIKeyCJPVSRAWEUGOHT-UHFFFAOYSA-M
XLogP-0.53
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 77230467) is 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is Cn1nc(C(=O)[O-])c2ccc(F)nc21.
What is the InChIKey of 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is CJPVSRAWEUGOHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6FN3O2/c1-12-7-4(2-3-5(9)10-7)6(11-12)8(13)14/h2-3H,1H3,(H,13,14)/p-1.
What are the key properties of 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate?
6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 194.15 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 77230467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).