6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine

C8H8ClN3 — CID 83828454

IUPAC6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine
SMILESCc1nn(C)c2cc(Cl)ncc12
InChIInChI=1S/C8H8ClN3/c1-5-6-4-10-8(9)3-7(6)12(2)11-5/h3-4H,1-2H3
InChIKeyIAWRLBYCYRPWGV-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.93
Rot. Bonds

About 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine

6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine (PubChem CID 83828454) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine
PubChem CID83828454
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine
SMILESCc1nn(C)c2cc(Cl)ncc12
InChIInChI=1S/C8H8ClN3/c1-5-6-4-10-8(9)3-7(6)12(2)11-5/h3-4H,1-2H3
InChIKeyIAWRLBYCYRPWGV-UHFFFAOYSA-N
XLogP1.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.93
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 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine (CID 83828454) is 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine is Cc1nn(C)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine?
The InChIKey is IAWRLBYCYRPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-6-4-10-8(9)3-7(6)12(2)11-5/h3-4H,1-2H3.
What are the key properties of 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine?
6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine has a molecular weight of 181.63 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 83828454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).