ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate

C12H8ClF5N2O2 — CID 172715553

IUPACethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)ccc(C(F)F)c2c1C(F)(F)F
InChIInChI=1S/C12H8ClF5N2O2/c1-2-22-11(21)8-7(12(16,17)18)9-5(10(14)15)3-4-6(13)20(9)19-8/h3-4,10H,2H2,1H3
InChIKeyFUUNPYMTPUKVHZ-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.12
Rot. Bonds3

About ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 172715553) has the molecular formula C12H8ClF5N2O2 and a molecular weight of 342.65 g/mol. Its IUPAC name is ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID172715553
Molecular FormulaC12H8ClF5N2O2
Molecular Weight342.65 g/mol
Exact Mass342.02
IUPAC Nameethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)ccc(C(F)F)c2c1C(F)(F)F
InChIInChI=1S/C12H8ClF5N2O2/c1-2-22-11(21)8-7(12(16,17)18)9-5(10(14)15)3-4-6(13)20(9)19-8/h3-4,10H,2H2,1H3
InChIKeyFUUNPYMTPUKVHZ-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.12
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

ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
ethyl 1-(difluoromethyl)-5-phenyl-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 171093944
ethyl 4-(difluoromethyl)-2-hydroxy-3-methylbenzoate
CID 118496136
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate (CID 172715553) is ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1nn2c(Cl)ccc(C(F)F)c2c1C(F)(F)F.
What is the InChIKey of ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is FUUNPYMTPUKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF5N2O2/c1-2-22-11(21)8-7(12(16,17)18)9-5(10(14)15)3-4-6(13)20(9)19-8/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 342.65 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 172715553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).