1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

C13H13Br2N3 — CID 104804039

IUPAC1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ncccc1Br
InChIInChI=1S/C13H13Br2N3/c1-16-12(13-11(15)3-2-6-17-13)7-10-5-4-9(14)8-18-10/h2-6,8,12,16H,7H2,1H3
InChIKeyBMZLYYIODAYUGH-UHFFFAOYSA-N
MW371.08 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (PubChem CID 104804039) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
PubChem CID104804039
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ncccc1Br
InChIInChI=1S/C13H13Br2N3/c1-16-12(13-11(15)3-2-6-17-13)7-10-5-4-9(14)8-18-10/h2-6,8,12,16H,7H2,1H3
InChIKeyBMZLYYIODAYUGH-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine with MolForge

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (CID 104804039) is 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The InChIKey is BMZLYYIODAYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-16-12(13-11(15)3-2-6-17-13)7-10-5-4-9(14)8-18-10/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine has a molecular weight of 371.08 g/mol, XLogP of 3.50, 4 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)-N-methylethanamine is sourced from PubChem (CID 104804039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).