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

C12H11Br2N3 — CID 104804034

IUPAC1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1ncccc1Br
InChIInChI=1S/C12H11Br2N3/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
InChIKeyBCFSFMVOYHKOIQ-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.24
Rot. Bonds3

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

1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine (PubChem CID 104804034) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
PubChem CID104804034
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1ncccc1Br
InChIInChI=1S/C12H11Br2N3/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
InChIKeyBCFSFMVOYHKOIQ-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803638
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
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)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105180886
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348316
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine (CID 104804034) is 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cn1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The InChIKey is BCFSFMVOYHKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/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 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine?
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine has a molecular weight of 357.05 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine is sourced from PubChem (CID 104804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).