5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine

C8H10BrN3 — CID 145138294

IUPAC5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine
SMILES[H]/N=C/c1ncc(Br)cc1NCC
InChIInChI=1S/C8H10BrN3/c1-2-11-7-3-6(9)5-12-8(7)4-10/h3-5,10-11H,2H2,1H3/b10-4+
InChIKeyHEECFQAAYAKGFH-ONNFQVAWSA-N
MW228.09 g/mol
LogP2.27
Rot. Bonds3

About 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine

5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine (PubChem CID 145138294) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine
PubChem CID145138294
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine
SMILES[H]/N=C/c1ncc(Br)cc1NCC
InChIInChI=1S/C8H10BrN3/c1-2-11-7-3-6(9)5-12-8(7)4-10/h3-5,10-11H,2H2,1H3/b10-4+
InChIKeyHEECFQAAYAKGFH-ONNFQVAWSA-N
XLogP2.27
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine 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

5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
CID 167506720
CID 167506720
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
CID 167223981
N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine
CID 130265992
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine
CID 142246876
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline
CID 143481895
4-bromo-N-ethyl-2-methylaniline
CID 23053407
2-bromo-1-N,3-N-diethyl-5-methylbenzene-1,3-diamine
CID 174639511

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine?
The IUPAC name of 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine (CID 145138294) is 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine is [H]/N=C/c1ncc(Br)cc1NCC.
What is the InChIKey of 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine?
The InChIKey is HEECFQAAYAKGFH-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-2-11-7-3-6(9)5-12-8(7)4-10/h3-5,10-11H,2H2,1H3/b10-4+.
What are the key properties of 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine?
5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine has a molecular weight of 228.09 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine is sourced from PubChem (CID 145138294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).