2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine

C13H10BrF3N2 — CID 105036649

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10BrF3N2/c14-8-3-7(5-19-6-8)4-11(18)9-1-2-10(15)13(17)12(9)16/h1-3,5-6,11H,4,18H2
InChIKeyJXRRVWWITBKJHJ-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 105036649) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID105036649
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H10BrF3N2/c14-8-3-7(5-19-6-8)4-11(18)9-1-2-10(15)13(17)12(9)16/h1-3,5-6,11H,4,18H2
InChIKeyJXRRVWWITBKJHJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine 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

2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62965496
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 105036649) is 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is JXRRVWWITBKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-8-3-7(5-19-6-8)4-11(18)9-1-2-10(15)13(17)12(9)16/h1-3,5-6,11H,4,18H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 331.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 105036649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).