2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole

C20H14FN3O2 — CID 171574160

IUPAC2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
SMILESCc1cc(-c2ccccc2)c2cn(-c3ccc([N+](=O)[O-])cc3F)nc2c1
InChIInChI=1S/C20H14FN3O2/c1-13-9-16(14-5-3-2-4-6-14)17-12-23(22-19(17)10-13)20-8-7-15(24(25)26)11-18(20)21/h2-12H,1H3
InChIKeySIWIAIPDFMJWJL-UHFFFAOYSA-N
MW347.35 g/mol
LogP5.05
Rot. Bonds3

About 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole

2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole (PubChem CID 171574160) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
PubChem CID171574160
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole
SMILESCc1cc(-c2ccccc2)c2cn(-c3ccc([N+](=O)[O-])cc3F)nc2c1
InChIInChI=1S/C20H14FN3O2/c1-13-9-16(14-5-3-2-4-6-14)17-12-23(22-19(17)10-13)20-8-7-15(24(25)26)11-18(20)21/h2-12H,1H3
InChIKeySIWIAIPDFMJWJL-UHFFFAOYSA-N
XLogP5.05
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.35
LogP ≤ 55.05
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 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole 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

methyl 2-(2-fluoro-4-nitrophenyl)-4-phenylindazole-6-carboxylate
CID 155325115
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
methyl 2-(4-bromo-2-fluorophenyl)-4-phenylindazole-6-carboxylate
CID 155325122
2-(2-methylphenyl)-6-nitroindazole
CID 620110
7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine
CID 155319263
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
1-(2-fluoro-4-nitrophenyl)triazole-4-carbaldehyde
CID 66215024
1-(2-fluoro-4-nitrophenyl)-N-phenylmethanimine oxide
CID 88775036
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-chloro-6-nitro-4-phenylquinoline
CID 21488599

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole (CID 171574160) is 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole is Cc1cc(-c2ccccc2)c2cn(-c3ccc([N+](=O)[O-])cc3F)nc2c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole?
The InChIKey is SIWIAIPDFMJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-13-9-16(14-5-3-2-4-6-14)17-12-23(22-19(17)10-13)20-8-7-15(24(25)26)11-18(20)21/h2-12H,1H3.
What are the key properties of 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole?
2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole has a molecular weight of 347.35 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)-6-methyl-4-phenylindazole is sourced from PubChem (CID 171574160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).