2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole

C10H8F3N3O2 — CID 166102309

IUPAC2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole
SMILESCc1c2cc(C(F)(F)F)cc([N+](=O)[O-])c2nn1C
InChIInChI=1S/C10H8F3N3O2/c1-5-7-3-6(10(11,12)13)4-8(16(17)18)9(7)14-15(5)2/h3-4H,1-2H3
InChIKeyPWLNLGIINGREBH-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.81
Rot. Bonds1

About 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole

2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole (PubChem CID 166102309) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole
PubChem CID166102309
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole
SMILESCc1c2cc(C(F)(F)F)cc([N+](=O)[O-])c2nn1C
InChIInChI=1S/C10H8F3N3O2/c1-5-7-3-6(10(11,12)13)4-8(16(17)18)9(7)14-15(5)2/h3-4H,1-2H3
InChIKeyPWLNLGIINGREBH-UHFFFAOYSA-N
XLogP2.81
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.81
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

1,5-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 133423152
1,5-bis[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,4-dimethylbenzene
CID 141170569
1-fluoro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171030388
1-iodo-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171016234
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
2-[chloro(difluoro)methyl]-1-methoxy-4-nitro-6-(trifluoromethyl)benzimidazole
CID 22908770
3-methyl-8-nitro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 166102446
2-ethylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
CID 44589159
4-amino-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione
CID 134106307
N,N-di(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 71355810
2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 20653714

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole?
The IUPAC name of 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole (CID 166102309) is 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole.
What is the SMILES notation for 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole?
The canonical SMILES for 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole is Cc1c2cc(C(F)(F)F)cc([N+](=O)[O-])c2nn1C.
What is the InChIKey of 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole?
The InChIKey is PWLNLGIINGREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-5-7-3-6(10(11,12)13)4-8(16(17)18)9(7)14-15(5)2/h3-4H,1-2H3.
What are the key properties of 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole?
2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole has a molecular weight of 259.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-nitro-5-(trifluoromethyl)indazole is sourced from PubChem (CID 166102309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).