6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine

C13H9ClN4O2 — CID 174298070

IUPAC6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12
InChIInChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3
InChIKeyCBVMBRFEYZXCOM-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine

6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine (PubChem CID 174298070) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
PubChem CID174298070
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12
InChIInChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3
InChIKeyCBVMBRFEYZXCOM-UHFFFAOYSA-N
XLogP3.29
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine (CID 174298070) is 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
The InChIKey is CBVMBRFEYZXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-8-11-7-15-13(14)6-12(11)17(16-8)9-2-4-10(5-3-9)18(19)20/h2-7H,1H3.
What are the key properties of 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine?
6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine has a molecular weight of 288.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 174298070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).