4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine

C11H14ClN3 — CID 82343473

IUPAC4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine
SMILESC=CCN(CC=C)c1nccc(Cl)c1N
InChIInChI=1S/C11H14ClN3/c1-3-7-15(8-4-2)11-10(13)9(12)5-6-14-11/h3-6H,1-2,7-8,13H2
InChIKeyQLKBIKWLTXJSNY-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.50
Rot. Bonds5

About 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine

4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine (PubChem CID 82343473) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine
PubChem CID82343473
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine
SMILESC=CCN(CC=C)c1nccc(Cl)c1N
InChIInChI=1S/C11H14ClN3/c1-3-7-15(8-4-2)11-10(13)9(12)5-6-14-11/h3-6H,1-2,7-8,13H2
InChIKeyQLKBIKWLTXJSNY-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine 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 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine?
The IUPAC name of 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine (CID 82343473) is 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine?
The canonical SMILES for 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine is C=CCN(CC=C)c1nccc(Cl)c1N.
What is the InChIKey of 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine?
The InChIKey is QLKBIKWLTXJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-7-15(8-4-2)11-10(13)9(12)5-6-14-11/h3-6H,1-2,7-8,13H2.
What are the key properties of 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine?
4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine has a molecular weight of 223.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine is sourced from PubChem (CID 82343473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).