4-chloro-1-methyl-7-nitroindazole

C8H6ClN3O2 — CID 134096067

IUPAC4-chloro-1-methyl-7-nitroindazole
SMILESCn1ncc2c(Cl)ccc([N+](=O)[O-])c21
InChIInChI=1S/C8H6ClN3O2/c1-11-8-5(4-10-11)6(9)2-3-7(8)12(13)14/h2-4H,1H3
InChIKeyJIEYLEYXLXLLQX-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.13
Rot. Bonds1

About 4-chloro-1-methyl-7-nitroindazole

4-chloro-1-methyl-7-nitroindazole (PubChem CID 134096067) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 4-chloro-1-methyl-7-nitroindazole.

Molecular Properties

Compound Name4-chloro-1-methyl-7-nitroindazole
PubChem CID134096067
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name4-chloro-1-methyl-7-nitroindazole
SMILESCn1ncc2c(Cl)ccc([N+](=O)[O-])c21
InChIInChI=1S/C8H6ClN3O2/c1-11-8-5(4-10-11)6(9)2-3-7(8)12(13)14/h2-4H,1H3
InChIKeyJIEYLEYXLXLLQX-UHFFFAOYSA-N
XLogP2.13
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-1-methyl-7-nitroindazole with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-7-fluoro-1-methylindazole
CID 171662404
1-methyl-6-nitroindazol-7-amine
CID 76846031
8-chloro-5-nitroisoquinoline
CID 53420876
4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
CID 145080487
1-methyl-4,6-dinitroindazole
CID 71946278
2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine
CID 141387354
1,6-dimethyl-7-nitroindazole
CID 170964555
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-(4-chloro-1-methyl-7-nitroindazol-3-yl)-N-methylsulfinylacetamide
CID 156846985
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-7-nitroindazole?
The IUPAC name of 4-chloro-1-methyl-7-nitroindazole (CID 134096067) is 4-chloro-1-methyl-7-nitroindazole.
What is the SMILES notation for 4-chloro-1-methyl-7-nitroindazole?
The canonical SMILES for 4-chloro-1-methyl-7-nitroindazole is Cn1ncc2c(Cl)ccc([N+](=O)[O-])c21.
What is the InChIKey of 4-chloro-1-methyl-7-nitroindazole?
The InChIKey is JIEYLEYXLXLLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-11-8-5(4-10-11)6(9)2-3-7(8)12(13)14/h2-4H,1H3.
What are the key properties of 4-chloro-1-methyl-7-nitroindazole?
4-chloro-1-methyl-7-nitroindazole has a molecular weight of 211.61 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-7-nitroindazole is sourced from PubChem (CID 134096067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).