5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

C10H8F3N3O2 — CID 2822848

IUPAC5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-1-2-7-5(3-6)4-8(15-7)9(17)16-14/h1-4,15H,14H2,(H,16,17)
InChIKeyURTPSVXHRXLVEH-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.67
Rot. Bonds2

About 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

5-(trifluoromethoxy)-1H-indole-2-carbohydrazide (PubChem CID 2822848) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
PubChem CID2822848
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-1-2-7-5(3-6)4-8(15-7)9(17)16-14/h1-4,15H,14H2,(H,16,17)
InChIKeyURTPSVXHRXLVEH-UHFFFAOYSA-N
XLogP1.67
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The IUPAC name of 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide (CID 2822848) is 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide is NNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
The InChIKey is URTPSVXHRXLVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)18-6-1-2-7-5(3-6)4-8(15-7)9(17)16-14/h1-4,15H,14H2,(H,16,17).
What are the key properties of 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide?
5-(trifluoromethoxy)-1H-indole-2-carbohydrazide has a molecular weight of 259.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 2822848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).