5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol

C17H13BrF3N3O — CID 170980390

IUPAC5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol
SMILESCC/C(=N\c1ccc(C(F)(F)F)cn1)c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13BrF3N3O/c1-2-12(23-14-6-3-9(8-22-14)17(19,20)21)15-11-7-10(18)4-5-13(11)24-16(15)25/h3-8,24-25H,2H2,1H3/b23-12+
InChIKeyCJHOTYNKXKHVGO-FSJBWODESA-N
MW412.21 g/mol
LogP5.58
Rot. Bonds3

About 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol

5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol (PubChem CID 170980390) has the molecular formula C17H13BrF3N3O and a molecular weight of 412.21 g/mol. Its IUPAC name is 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol
PubChem CID170980390
Molecular FormulaC17H13BrF3N3O
Molecular Weight412.21 g/mol
Exact Mass411.02
IUPAC Name5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol
SMILESCC/C(=N\c1ccc(C(F)(F)F)cn1)c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13BrF3N3O/c1-2-12(23-14-6-3-9(8-22-14)17(19,20)21)15-11-7-10(18)4-5-13(11)24-16(15)25/h3-8,24-25H,2H2,1H3/b23-12+
InChIKeyCJHOTYNKXKHVGO-FSJBWODESA-N
XLogP5.58
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.21
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-1H-indol-2-ol
CID 171468263
3-(C-ethyl-N-pyridin-3-ylcarbonimidoyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
CID 170980308
1-[3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-1H-indol-5-yl]ethanone
CID 170980351
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 136732774
[3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-1H-indol-5-yl]-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 170980532
3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867768
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-ethylcarbonimidoyl]-2-hydroxy-N-(2-methylpropyl)-1H-indole-5-carboxamide
CID 170980354
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol (CID 170980390) is 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol is CC/C(=N\c1ccc(C(F)(F)F)cn1)c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol?
The InChIKey is CJHOTYNKXKHVGO-FSJBWODESA-N. The full InChI is InChI=1S/C17H13BrF3N3O/c1-2-12(23-14-6-3-9(8-22-14)17(19,20)21)15-11-7-10(18)4-5-13(11)24-16(15)25/h3-8,24-25H,2H2,1H3/b23-12+.
What are the key properties of 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol?
5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol has a molecular weight of 412.21 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[C-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]carbonimidoyl]-1H-indol-2-ol is sourced from PubChem (CID 170980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).