5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine

C16H23Br3N4 — CID 159087569

IUPAC5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine
SMILESBrc1ccc(Br)nc1.CCN(C)c1ccc(Br)cn1.CCNC
InChIInChI=1S/C8H11BrN2.C5H3Br2N.C3H9N/c1-3-11(2)8-5-4-7(9)6-10-8;6-4-1-2-5(7)8-3-4;1-3-4-2/h4-6H,3H2,1-2H3;1-3H;4H,3H2,1-2H3
InChIKeyKBQBWXIFQDFKLB-UHFFFAOYSA-N
MW511.10 g/mol
LogP5.13
Rot. Bonds3

About 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine

5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine (PubChem CID 159087569) has the molecular formula C16H23Br3N4 and a molecular weight of 511.10 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine
PubChem CID159087569
Molecular FormulaC16H23Br3N4
Molecular Weight511.10 g/mol
Exact Mass507.95
IUPAC Name5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine
SMILESBrc1ccc(Br)nc1.CCN(C)c1ccc(Br)cn1.CCNC
InChIInChI=1S/C8H11BrN2.C5H3Br2N.C3H9N/c1-3-11(2)8-5-4-7(9)6-10-8;6-4-1-2-5(7)8-3-4;1-3-4-2/h4-6H,3H2,1-2H3;1-3H;4H,3H2,1-2H3
InChIKeyKBQBWXIFQDFKLB-UHFFFAOYSA-N
XLogP5.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.10
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
2,5-dibromopyridine;ethane
CID 90871570
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
2-N-ethyl-2-N-methylpyridine-2,5-diamine
CID 43263136
N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
CID 165394201
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669
6-bromo-N-ethylpyridin-3-amine;hydrochloride
CID 87426556
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine?
The IUPAC name of 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine (CID 159087569) is 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine.
What is the SMILES notation for 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine?
The canonical SMILES for 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine is Brc1ccc(Br)nc1.CCN(C)c1ccc(Br)cn1.CCNC.
What is the InChIKey of 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine?
The InChIKey is KBQBWXIFQDFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.C5H3Br2N.C3H9N/c1-3-11(2)8-5-4-7(9)6-10-8;6-4-1-2-5(7)8-3-4;1-3-4-2/h4-6H,3H2,1-2H3;1-3H;4H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine?
5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine has a molecular weight of 511.10 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine is sourced from PubChem (CID 159087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).