5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine

C9H10ClN3O — CID 121418080

IUPAC5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine
SMILESCCn1ncc2cc(Cl)nc(OC)c21
InChIInChI=1S/C9H10ClN3O/c1-3-13-8-6(5-11-13)4-7(10)12-9(8)14-2/h4-5H,3H2,1-2H3
InChIKeyQWBYKYSIKKRXIG-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.11
Rot. Bonds2

About 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine

5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine (PubChem CID 121418080) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine
PubChem CID121418080
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine
SMILESCCn1ncc2cc(Cl)nc(OC)c21
InChIInChI=1S/C9H10ClN3O/c1-3-13-8-6(5-11-13)4-7(10)12-9(8)14-2/h4-5H,3H2,1-2H3
InChIKeyQWBYKYSIKKRXIG-UHFFFAOYSA-N
XLogP2.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine (CID 121418080) is 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine is CCn1ncc2cc(Cl)nc(OC)c21.
What is the InChIKey of 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine?
The InChIKey is QWBYKYSIKKRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-3-13-8-6(5-11-13)4-7(10)12-9(8)14-2/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine?
5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine has a molecular weight of 211.65 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-7-methoxypyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121418080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).