2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine

C14H14Br3N3 — CID 104804061

IUPAC2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br3N3/c1-2-19-13(4-9-3-10(15)7-18-6-9)14-12(17)5-11(16)8-20-14/h3,5-8,13,19H,2,4H2,1H3
InChIKeyPBBGCCMBHHDPFB-UHFFFAOYSA-N
MW464.00 g/mol
LogP4.66
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine

2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine (PubChem CID 104804061) has the molecular formula C14H14Br3N3 and a molecular weight of 464.00 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
PubChem CID104804061
Molecular FormulaC14H14Br3N3
Molecular Weight464.00 g/mol
Exact Mass460.87
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br3N3/c1-2-19-13(4-9-3-10(15)7-18-6-9)14-12(17)5-11(16)8-20-14/h3,5-8,13,19H,2,4H2,1H3
InChIKeyPBBGCCMBHHDPFB-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.00
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
CID 104801827
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine (CID 104804061) is 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1cncc(Br)c1)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine?
The InChIKey is PBBGCCMBHHDPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br3N3/c1-2-19-13(4-9-3-10(15)7-18-6-9)14-12(17)5-11(16)8-20-14/h3,5-8,13,19H,2,4H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine?
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine has a molecular weight of 464.00 g/mol, XLogP of 4.66, 5 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-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 104804061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).