5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole

C13H7F3N4O2 — CID 71607351

IUPAC5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3cncc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)8-3-7(5-17-6-8)12-10-4-9(20(21)22)1-2-11(10)18-19-12/h1-6H,(H,18,19)
InChIKeyJWUGGWNMLGHIJB-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.55
Rot. Bonds2

About 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole

5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole (PubChem CID 71607351) has the molecular formula C13H7F3N4O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
PubChem CID71607351
Molecular FormulaC13H7F3N4O2
Molecular Weight308.22 g/mol
Exact Mass308.05
IUPAC Name5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3cncc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)8-3-7(5-17-6-8)12-10-4-9(20(21)22)1-2-11(10)18-19-12/h1-6H,(H,18,19)
InChIKeyJWUGGWNMLGHIJB-UHFFFAOYSA-N
XLogP3.55
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
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

3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
ethane;3-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-5-nitro-1H-indazole
CID 142958172
N-benzyl-5-nitro-1H-indazol-3-amine
CID 22567151
5-nitro-3-propoxy-1H-indazole
CID 76846129
N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
CID 10286156
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
CID 46273380
7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one
CID 22079268
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole (CID 71607351) is 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole is O=[N+]([O-])c1ccc2[nH]nc(-c3cncc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole?
The InChIKey is JWUGGWNMLGHIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2/c14-13(15,16)8-3-7(5-17-6-8)12-10-4-9(20(21)22)1-2-11(10)18-19-12/h1-6H,(H,18,19).
What are the key properties of 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole?
5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole has a molecular weight of 308.22 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 71607351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).