4-chloro-1-methylpyrazolo[4,5-c]pyridine

C7H6ClN3 — CID 83827012

IUPAC4-chloro-1-methylpyrazolo[4,5-c]pyridine
SMILESCn1ncc2c(Cl)nccc21
InChIInChI=1S/C7H6ClN3/c1-11-6-2-3-9-7(8)5(6)4-10-11/h2-4H,1H3
InChIKeyHLLABXSVPSGYEO-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.62
Rot. Bonds

About 4-chloro-1-methylpyrazolo[4,5-c]pyridine

4-chloro-1-methylpyrazolo[4,5-c]pyridine (PubChem CID 83827012) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazolo[4,5-c]pyridine
PubChem CID83827012
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-1-methylpyrazolo[4,5-c]pyridine
SMILESCn1ncc2c(Cl)nccc21
InChIInChI=1S/C7H6ClN3/c1-11-6-2-3-9-7(8)5(6)4-10-11/h2-4H,1H3
InChIKeyHLLABXSVPSGYEO-UHFFFAOYSA-N
XLogP1.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.62
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 4-chloro-1-methylpyrazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-methylpyrazolo[4,5-c]pyridine (CID 83827012) is 4-chloro-1-methylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-methylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-methylpyrazolo[4,5-c]pyridine is Cn1ncc2c(Cl)nccc21.
What is the InChIKey of 4-chloro-1-methylpyrazolo[4,5-c]pyridine?
The InChIKey is HLLABXSVPSGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-11-6-2-3-9-7(8)5(6)4-10-11/h2-4H,1H3.
What are the key properties of 4-chloro-1-methylpyrazolo[4,5-c]pyridine?
4-chloro-1-methylpyrazolo[4,5-c]pyridine has a molecular weight of 167.60 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 83827012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).