2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine

C12H11BrFN3 — CID 113455102

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccncc1F
InChIInChI=1S/C12H11BrFN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2
InChIKeyTVCLHZKFVKWPFI-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.62
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine (PubChem CID 113455102) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
PubChem CID113455102
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccncc1F
InChIInChI=1S/C12H11BrFN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2
InChIKeyTVCLHZKFVKWPFI-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine (CID 113455102) is 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccncc1F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine?
The InChIKey is TVCLHZKFVKWPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-9-3-8(5-17-6-9)4-12(15)10-1-2-16-7-11(10)14/h1-3,5-7,12H,4,15H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine has a molecular weight of 296.14 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine is sourced from PubChem (CID 113455102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).