5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine

C10H12ClN3 — CID 142608508

IUPAC5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine
SMILESCCn1nc(C)c2nc(Cl)c(C)cc21
InChIInChI=1S/C10H12ClN3/c1-4-14-8-5-6(2)10(11)12-9(8)7(3)13-14/h5H,4H2,1-3H3
InChIKeyLDSHVLXUBBRMIU-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.72
Rot. Bonds1

About 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine

5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine (PubChem CID 142608508) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine
PubChem CID142608508
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine
SMILESCCn1nc(C)c2nc(Cl)c(C)cc21
InChIInChI=1S/C10H12ClN3/c1-4-14-8-5-6(2)10(11)12-9(8)7(3)13-14/h5H,4H2,1-3H3
InChIKeyLDSHVLXUBBRMIU-UHFFFAOYSA-N
XLogP2.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine (CID 142608508) is 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine is CCn1nc(C)c2nc(Cl)c(C)cc21.
What is the InChIKey of 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine?
The InChIKey is LDSHVLXUBBRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-4-14-8-5-6(2)10(11)12-9(8)7(3)13-14/h5H,4H2,1-3H3.
What are the key properties of 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine?
5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).