6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine

C13H16ClN3O2 — CID 175944886

IUPAC6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESCCOc1nc(Cl)cc2nn(C3CCOCC3)cc12
InChIInChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-17(9-3-5-18-6-4-9)16-11(10)7-12(14)15-13/h7-9H,2-6H2,1H3
InChIKeyWWWQFXXVBYVGSL-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine

6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 175944886) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID175944886
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESCCOc1nc(Cl)cc2nn(C3CCOCC3)cc12
InChIInChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-17(9-3-5-18-6-4-9)16-11(10)7-12(14)15-13/h7-9H,2-6H2,1H3
InChIKeyWWWQFXXVBYVGSL-UHFFFAOYSA-N
XLogP2.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.83
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-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine (CID 175944886) is 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine is CCOc1nc(Cl)cc2nn(C3CCOCC3)cc12.
What is the InChIKey of 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is WWWQFXXVBYVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-17(9-3-5-18-6-4-9)16-11(10)7-12(14)15-13/h7-9H,2-6H2,1H3.
What are the key properties of 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 281.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).