2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine

C13H14BrN3 — CID 113454817

IUPAC2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccccn1
InChIInChI=1S/C13H14BrN3/c1-15-13(12-4-2-3-7-16-12)8-11-6-5-10(14)9-17-11/h2-7,9,13,15H,8H2,1H3
InChIKeyBYRPCSWLURTUMP-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine

2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 113454817) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
PubChem CID113454817
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccccn1
InChIInChI=1S/C13H14BrN3/c1-15-13(12-4-2-3-7-16-12)8-11-6-5-10(14)9-17-11/h2-7,9,13,15H,8H2,1H3
InChIKeyBYRPCSWLURTUMP-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
[1-(5-bromo-2-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105267624
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine (CID 113454817) is 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine is CNC(Cc1ccc(Br)cn1)c1ccccn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is BYRPCSWLURTUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-15-13(12-4-2-3-7-16-12)8-11-6-5-10(14)9-17-11/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine?
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.74, 4 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)-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 113454817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).