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

C9H10ClN3 — CID 89190838

IUPAC4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
SMILESCCn1ncc2c(Cl)c(C)cnc21
InChIInChI=1S/C9H10ClN3/c1-3-13-9-7(5-12-13)8(10)6(2)4-11-9/h4-5H,3H2,1-2H3
InChIKeyHGTPOGWHEFKNAO-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.41
Rot. Bonds1

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

4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine (PubChem CID 89190838) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
PubChem CID89190838
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
SMILESCCn1ncc2c(Cl)c(C)cnc21
InChIInChI=1S/C9H10ClN3/c1-3-13-9-7(5-12-13)8(10)6(2)4-11-9/h4-5H,3H2,1-2H3
InChIKeyHGTPOGWHEFKNAO-UHFFFAOYSA-N
XLogP2.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine (CID 89190838) is 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine is CCn1ncc2c(Cl)c(C)cnc21.
What is the InChIKey of 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine?
The InChIKey is HGTPOGWHEFKNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-3-13-9-7(5-12-13)8(10)6(2)4-11-9/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine?
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine has a molecular weight of 195.65 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 89190838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).