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

C12H11BrFN3 — CID 104803638

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1ncccc1F
InChIInChI=1S/C12H11BrFN3/c13-8-3-4-9(17-7-8)6-11(15)12-10(14)2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyWPOVSRRYRDTXRE-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.62
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine (PubChem CID 104803638) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
PubChem CID104803638
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1ncccc1F
InChIInChI=1S/C12H11BrFN3/c13-8-3-4-9(17-7-8)6-11(15)12-10(14)2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyWPOVSRRYRDTXRE-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

1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
(3R)-3-amino-3-(3-fluoro-2-pyridinyl)propanenitrile
CID 55276318
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 104803490
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105180886
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine (CID 104803638) is 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cn1)c1ncccc1F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine?
The InChIKey is WPOVSRRYRDTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-8-3-4-9(17-7-8)6-11(15)12-10(14)2-1-5-16-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-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-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 104803638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).