5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine

C8H5ClF3N3O — CID 178139783

IUPAC5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine
SMILESCn1nc(F)c2nc(Cl)c(OC(F)F)cc21
InChIInChI=1S/C8H5ClF3N3O/c1-15-3-2-4(16-8(11)12)6(9)13-5(3)7(10)14-15/h2,8H,1H3
InChIKeyGTEKWNPPWHJXJK-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.36
Rot. Bonds2

About 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine

5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine (PubChem CID 178139783) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine
PubChem CID178139783
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine
SMILESCn1nc(F)c2nc(Cl)c(OC(F)F)cc21
InChIInChI=1S/C8H5ClF3N3O/c1-15-3-2-4(16-8(11)12)6(9)13-5(3)7(10)14-15/h2,8H,1H3
InChIKeyGTEKWNPPWHJXJK-UHFFFAOYSA-N
XLogP2.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine?
The IUPAC name of 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine (CID 178139783) is 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine is Cn1nc(F)c2nc(Cl)c(OC(F)F)cc21.
What is the InChIKey of 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine?
The InChIKey is GTEKWNPPWHJXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c1-15-3-2-4(16-8(11)12)6(9)13-5(3)7(10)14-15/h2,8H,1H3.
What are the key properties of 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine?
5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine has a molecular weight of 251.59 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 178139783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).