1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine

C13H13Br2N3 — CID 104804023

IUPAC1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(Br)cn1
InChIInChI=1S/C13H13Br2N3/c1-16-13(12-5-3-10(15)8-18-12)6-11-4-2-9(14)7-17-11/h2-5,7-8,13,16H,6H2,1H3
InChIKeyPXAIDKKZGBLDFI-UHFFFAOYSA-N
MW371.08 g/mol
LogP3.50
Rot. Bonds4

About 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine (PubChem CID 104804023) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
PubChem CID104804023
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(Br)cn1
InChIInChI=1S/C13H13Br2N3/c1-16-13(12-5-3-10(15)8-18-12)6-11-4-2-9(14)7-17-11/h2-5,7-8,13,16H,6H2,1H3
InChIKeyPXAIDKKZGBLDFI-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

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
[1-(5-bromo-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105267672
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine (CID 104804023) is 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)c1ccc(Br)cn1.
What is the InChIKey of 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine?
The InChIKey is PXAIDKKZGBLDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-16-13(12-5-3-10(15)8-18-12)6-11-4-2-9(14)7-17-11/h2-5,7-8,13,16H,6H2,1H3.
What are the key properties of 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine?
1,2-bis(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 1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 104804023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).