2-(2-methylphenyl)-6-nitroindazole

C14H11N3O2 — CID 620110

IUPAC2-(2-methylphenyl)-6-nitroindazole
SMILESCc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C14H11N3O2/c1-10-4-2-3-5-14(10)16-9-11-6-7-12(17(18)19)8-13(11)15-16/h2-9H,1H3
InChIKeyCUCADDIZPAWKQU-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.24
Rot. Bonds2

About 2-(2-methylphenyl)-6-nitroindazole

2-(2-methylphenyl)-6-nitroindazole (PubChem CID 620110) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-nitroindazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-nitroindazole
PubChem CID620110
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(2-methylphenyl)-6-nitroindazole
SMILESCc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C14H11N3O2/c1-10-4-2-3-5-14(10)16-9-11-6-7-12(17(18)19)8-13(11)15-16/h2-9H,1H3
InChIKeyCUCADDIZPAWKQU-UHFFFAOYSA-N
XLogP3.24
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.24
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'}

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Related Compounds

2-(4-methylphenyl)-6-nitroindazole
CID 620060
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
6-nitroindazole-2-carboximidamide;hydrochloride
CID 19382676
[3-methyl-1-(2-methyl-5-nitrophenyl)pyrazol-4-yl]methanamine
CID 84615052
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
ethane;6-nitroquinoxaline
CID 143926485
1-(2-methoxy-5-nitrophenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617567
2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
CID 171574160
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
3-(2-methylphenyl)-2-(4-nitrophenyl)imidazo[4,5-b]quinoxaline
CID 1423712
2-chloro-5-nitrobenzotriazole
CID 142674252

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-nitroindazole?
The IUPAC name of 2-(2-methylphenyl)-6-nitroindazole (CID 620110) is 2-(2-methylphenyl)-6-nitroindazole.
What is the SMILES notation for 2-(2-methylphenyl)-6-nitroindazole?
The canonical SMILES for 2-(2-methylphenyl)-6-nitroindazole is Cc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1.
What is the InChIKey of 2-(2-methylphenyl)-6-nitroindazole?
The InChIKey is CUCADDIZPAWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-4-2-3-5-14(10)16-9-11-6-7-12(17(18)19)8-13(11)15-16/h2-9H,1H3.
What are the key properties of 2-(2-methylphenyl)-6-nitroindazole?
2-(2-methylphenyl)-6-nitroindazole has a molecular weight of 253.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-nitroindazole is sourced from PubChem (CID 620110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).