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

C9H10ClN3O — CID 70427626

IUPAC4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
SMILESCCn1ncc2c(Cl)c(OC)cnc21
InChIInChI=1S/C9H10ClN3O/c1-3-13-9-6(4-12-13)8(10)7(14-2)5-11-9/h4-5H,3H2,1-2H3
InChIKeyCJCTYUIYVZYJJC-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.11
Rot. Bonds2

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

4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine (PubChem CID 70427626) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
PubChem CID70427626
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
SMILESCCn1ncc2c(Cl)c(OC)cnc21
InChIInChI=1S/C9H10ClN3O/c1-3-13-9-6(4-12-13)8(10)7(14-2)5-11-9/h4-5H,3H2,1-2H3
InChIKeyCJCTYUIYVZYJJC-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine (CID 70427626) is 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine is CCn1ncc2c(Cl)c(OC)cnc21.
What is the InChIKey of 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine?
The InChIKey is CJCTYUIYVZYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-3-13-9-6(4-12-13)8(10)7(14-2)5-11-9/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine?
4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]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 4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine is sourced from PubChem (CID 70427626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).