methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate

C9H7FN2O2 — CID 130065864

IUPACmethyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(F)n2nccc2c1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)6-4-7-2-3-11-12(7)8(10)5-6/h2-5H,1H3
InChIKeyCCFXYAWSUPPGOD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.26
Rot. Bonds1

About methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate

methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 130065864) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID130065864
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Namemethyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(F)n2nccc2c1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)6-4-7-2-3-11-12(7)8(10)5-6/h2-5H,1H3
InChIKeyCCFXYAWSUPPGOD-UHFFFAOYSA-N
XLogP1.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,5-difluorobenzoate
CID 2775360
methyl pyrazolo[1,5-b]pyridazine-6-carboxylate
CID 155892504
methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
CID 103186431
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
methyl 5-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 130065779
methyl pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 83381157
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
CID 170307924
CID 170307924
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
methyl 3-fluorobenzoate
CID 521184

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate (CID 130065864) is methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cc(F)n2nccc2c1.
What is the InChIKey of methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is CCFXYAWSUPPGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9(13)6-4-7-2-3-11-12(7)8(10)5-6/h2-5H,1H3.
What are the key properties of methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 194.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoropyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 130065864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).