2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine

C9H10BrN3 — CID 144666599

IUPAC2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
SMILESC/N=C/C(Br)=C(N)c1ccncc1
InChIInChI=1S/C9H10BrN3/c1-12-6-8(10)9(11)7-2-4-13-5-3-7/h2-6H,11H2,1H3/b9-8?,12-6+
InChIKeyAQNYYOUPZOJZMZ-BXVNJLJRSA-N
MW240.10 g/mol
LogP1.80
Rot. Bonds2

About 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine

2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine (PubChem CID 144666599) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
PubChem CID144666599
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
SMILESC/N=C/C(Br)=C(N)c1ccncc1
InChIInChI=1S/C9H10BrN3/c1-12-6-8(10)9(11)7-2-4-13-5-3-7/h2-6H,11H2,1H3/b9-8?,12-6+
InChIKeyAQNYYOUPZOJZMZ-BXVNJLJRSA-N
XLogP1.80
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine?
The IUPAC name of 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine (CID 144666599) is 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine.
What is the SMILES notation for 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine?
The canonical SMILES for 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine is C/N=C/C(Br)=C(N)c1ccncc1.
What is the InChIKey of 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine?
The InChIKey is AQNYYOUPZOJZMZ-BXVNJLJRSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-12-6-8(10)9(11)7-2-4-13-5-3-7/h2-6H,11H2,1H3/b9-8?,12-6+.
What are the key properties of 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine?
2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine has a molecular weight of 240.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine is sourced from PubChem (CID 144666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).