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

C14H8F3N3O3 — CID 47069033

IUPAC4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2[nH]ncc12
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)8-4-5-13(11(6-8)20(21)22)23-12-3-1-2-10-9(12)7-18-19-10/h1-7H,(H,18,19)
InChIKeyZSFRWMAOEIDXNO-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.28
Rot. Bonds3

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

4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole (PubChem CID 47069033) has the molecular formula C14H8F3N3O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole.

Molecular Properties

Compound Name4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole
PubChem CID47069033
Molecular FormulaC14H8F3N3O3
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2[nH]ncc12
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)8-4-5-13(11(6-8)20(21)22)23-12-3-1-2-10-9(12)7-18-19-10/h1-7H,(H,18,19)
InChIKeyZSFRWMAOEIDXNO-UHFFFAOYSA-N
XLogP4.28
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.28
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

6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645470
4-phenyl-6-(trifluoromethoxy)-1H-indazole
CID 127046309
6-(Benzyloxy)-1H-indazole
CID 11535911
6-(Trifluoromethoxy)-1H-indazole
CID 13712997
6-methoxy-5-nitro-1H-indazole
CID 15278630
6-Methoxy-1H-indazol-5-amine
CID 27274712
4-methoxy-5-nitro-1H-indazole
CID 71758449
N-[(2-nitro-4-phenylmethoxyphenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 168274023
6-[(4-Fluorophenyl)methoxy]-1H-indazole
CID 165357276
1h-Indazole,4-(2-fluoro-4-nitrophenoxy)-
CID 17979311
1h-Indazole,4-(2-fluoro-4-nitrophenoxy)-3-methyl-
CID 17979316

Frequently Asked Questions

What is the IUPAC name of 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole?
The IUPAC name of 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole (CID 47069033) is 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole.
What is the SMILES notation for 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole?
The canonical SMILES for 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2[nH]ncc12.
What is the InChIKey of 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole?
The InChIKey is ZSFRWMAOEIDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3/c15-14(16,17)8-4-5-13(11(6-8)20(21)22)23-12-3-1-2-10-9(12)7-18-19-10/h1-7H,(H,18,19).
What are the key properties of 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole?
4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole has a molecular weight of 323.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole is sourced from PubChem (CID 47069033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).