(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

C16H10BrF3N2O2 — CID 178155315

IUPAC(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cccc(C(F)(F)F)n3)c2c1Br
InChIInChI=1S/C16H10BrF3N2O2/c1-24-11-6-5-9-13(14(11)17)8(7-21-9)15(23)10-3-2-4-12(22-10)16(18,19)20/h2-7,21H,1H3
InChIKeyZFMJNYRKZFZELE-UHFFFAOYSA-N
MW399.17 g/mol
LogP4.58
Rot. Bonds3

About (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 178155315) has the molecular formula C16H10BrF3N2O2 and a molecular weight of 399.17 g/mol. Its IUPAC name is (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID178155315
Molecular FormulaC16H10BrF3N2O2
Molecular Weight399.17 g/mol
Exact Mass397.99
IUPAC Name(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cccc(C(F)(F)F)n3)c2c1Br
InChIInChI=1S/C16H10BrF3N2O2/c1-24-11-6-5-9-13(14(11)17)8(7-21-9)15(23)10-3-2-4-12(22-10)16(18,19)20/h2-7,21H,1H3
InChIKeyZFMJNYRKZFZELE-UHFFFAOYSA-N
XLogP4.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.17
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone 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-Methoxyindole-3-carbaldehyde
CID 82758
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 179552
(E)-3-(5-methoxy-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5917598
1-(5-Methoxy-1h-indol-3-yl)-2-(piperidin-1-yl)ethanone
CID 44827
2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 11024224
2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 18542198
2-[2-(4-ethylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 18542282
(2E)-3-[5-Methoxy-2-(trifluoromethyl)-1H-indol-3-yl]-1-(4-pyridinyl)-2-propen-1-one
CID 90306847
Momipp
CID 51039247
2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 659165

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 178155315) is (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is COc1ccc2[nH]cc(C(=O)c3cccc(C(F)(F)F)n3)c2c1Br.
What is the InChIKey of (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is ZFMJNYRKZFZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O2/c1-24-11-6-5-9-13(14(11)17)8(7-21-9)15(23)10-3-2-4-12(22-10)16(18,19)20/h2-7,21H,1H3.
What are the key properties of (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 399.17 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 178155315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).