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

C9H10ClN3O — CID 175964551

IUPAC6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cc(Cl)nc2c1c(C)nn2C
InChIInChI=1S/C9H10ClN3O/c1-5-8-6(14-3)4-7(10)11-9(8)13(2)12-5/h4H,1-3H3
InChIKeySBMYDMCEMMRUKT-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.94
Rot. Bonds1

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

6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 175964551) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID175964551
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cc(Cl)nc2c1c(C)nn2C
InChIInChI=1S/C9H10ClN3O/c1-5-8-6(14-3)4-7(10)11-9(8)13(2)12-5/h4H,1-3H3
InChIKeySBMYDMCEMMRUKT-UHFFFAOYSA-N
XLogP1.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.94
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 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 175964551) is 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine is COc1cc(Cl)nc2c1c(C)nn2C.
What is the InChIKey of 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is SBMYDMCEMMRUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5-8-6(14-3)4-7(10)11-9(8)13(2)12-5/h4H,1-3H3.
What are the key properties of 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine?
6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 211.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 175964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).