6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole

C14H8F3N3O2 — CID 174839288

IUPAC6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
SMILESO=[N+]([O-])c1ccc(-c2ccc3cn[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)12-6-10(20(21)22)3-4-11(12)8-1-2-9-7-18-19-13(9)5-8/h1-7H,(H,18,19)
InChIKeyFNTGGGJDWGCMAY-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.16
Rot. Bonds2

About 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole

6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 174839288) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID174839288
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
SMILESO=[N+]([O-])c1ccc(-c2ccc3cn[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)12-6-10(20(21)22)3-4-11(12)8-1-2-9-7-18-19-13(9)5-8/h1-7H,(H,18,19)
InChIKeyFNTGGGJDWGCMAY-UHFFFAOYSA-N
XLogP4.16
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1H-indazol-6-yl)-7-nitroquinazoline
CID 170422945
4-nitro-1-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 86094926
2,5-bis[4-nitro-2-(trifluoromethyl)phenyl]furan
CID 10551341
1-bromo-4-nitro-2-(trifluoromethyl)benzene;(4-methoxyphenyl)boronic acid;1-(4-methoxyphenyl)-4-nitro-2-(trifluoromethyl)benzene
CID 159135339
5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129052048
1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
CID 46314596
1-bromo-4-nitro-2-(trifluoromethyl)benzene;4-pyridin-3-yl-3-(trifluoromethyl)aniline
CID 161377487
N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
N,N-diethyl-2-[2-(1H-indazol-5-yl)-5-nitrophenoxy]ethanamine
CID 90798498
1,2-dichloro-3-[4-nitro-2-(trifluoromethyl)phenyl]benzene
CID 119018937
N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108513544
4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941

Frequently Asked Questions

What is the IUPAC name of 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole (CID 174839288) is 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole is O=[N+]([O-])c1ccc(-c2ccc3cn[nH]c3c2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is FNTGGGJDWGCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)12-6-10(20(21)22)3-4-11(12)8-1-2-9-7-18-19-13(9)5-8/h1-7H,(H,18,19).
What are the key properties of 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole?
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 307.23 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 174839288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).