2-(4-methylphenyl)-6-nitroindazole

C14H11N3O2 — CID 620060

IUPAC2-(4-methylphenyl)-6-nitroindazole
SMILESCc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C14H11N3O2/c1-10-2-5-12(6-3-10)16-9-11-4-7-13(17(18)19)8-14(11)15-16/h2-9H,1H3
InChIKeyWAXYLNFKWFMYDT-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.24
Rot. Bonds2

About 2-(4-methylphenyl)-6-nitroindazole

2-(4-methylphenyl)-6-nitroindazole (PubChem CID 620060) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-nitroindazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-nitroindazole
PubChem CID620060
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-methylphenyl)-6-nitroindazole
SMILESCc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C14H11N3O2/c1-10-2-5-12(6-3-10)16-9-11-4-7-13(17(18)19)8-14(11)15-16/h2-9H,1H3
InChIKeyWAXYLNFKWFMYDT-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-(2-methylphenyl)-6-nitroindazole
CID 620110
2-(4-methylphenyl)-4,6-dinitroindazole
CID 626844
2-methyl-1-(4-methylphenyl)-5-nitrobenzimidazole
CID 622425
4,6-dinitro-2-(4-nitrophenyl)indazole
CID 630169
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
1-[1-(4-methylphenyl)-4-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 16680427
6-nitro-2-(1-propan-2-ylpiperidin-4-yl)indazole
CID 68611732
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
4-methyl-1-(4-nitrophenyl)pyrazole-3-carbaldehyde
CID 139674879
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
6-nitroindazole-2-carboximidamide;hydrochloride
CID 19382676

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-nitroindazole?
The IUPAC name of 2-(4-methylphenyl)-6-nitroindazole (CID 620060) is 2-(4-methylphenyl)-6-nitroindazole.
What is the SMILES notation for 2-(4-methylphenyl)-6-nitroindazole?
The canonical SMILES for 2-(4-methylphenyl)-6-nitroindazole is Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-nitroindazole?
The InChIKey is WAXYLNFKWFMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-2-5-12(6-3-10)16-9-11-4-7-13(17(18)19)8-14(11)15-16/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-nitroindazole?
2-(4-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-(4-methylphenyl)-6-nitroindazole is sourced from PubChem (CID 620060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).