5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine

C10H12ClN3 — CID 21315240

IUPAC5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2cc(CCl)cnc21
InChIInChI=1S/C10H12ClN3/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10/h4,6H,3,5H2,1-2H3
InChIKeyFZVFYLWPRSXZEF-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.50
Rot. Bonds2

About 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine

5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 21315240) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine
PubChem CID21315240
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2cc(CCl)cnc21
InChIInChI=1S/C10H12ClN3/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10/h4,6H,3,5H2,1-2H3
InChIKeyFZVFYLWPRSXZEF-UHFFFAOYSA-N
XLogP2.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine (CID 21315240) is 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine is CCn1nc(C)c2cc(CCl)cnc21.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is FZVFYLWPRSXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-14-10-9(7(2)13-14)4-8(5-11)6-12-10/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine?
5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 21315240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).