2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine

C8H9BrClN3 — CID 104924053

IUPAC2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
SMILESC=C(Br)CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C8H9BrClN3/c1-5(9)4-12-8-3-6(11)2-7(10)13-8/h2-3H,1,4H2,(H3,11,12,13)
InChIKeyFEIBPHPFNNYKRD-UHFFFAOYSA-N
MW262.54 g/mol
LogP2.64
Rot. Bonds3

About 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine

2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine (PubChem CID 104924053) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
PubChem CID104924053
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
SMILESC=C(Br)CNc1cc(N)cc(Cl)n1
InChIInChI=1S/C8H9BrClN3/c1-5(9)4-12-8-3-6(11)2-7(10)13-8/h2-3H,1,4H2,(H3,11,12,13)
InChIKeyFEIBPHPFNNYKRD-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine?
The IUPAC name of 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine (CID 104924053) is 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine is C=C(Br)CNc1cc(N)cc(Cl)n1.
What is the InChIKey of 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine?
The InChIKey is FEIBPHPFNNYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3/c1-5(9)4-12-8-3-6(11)2-7(10)13-8/h2-3H,1,4H2,(H3,11,12,13).
What are the key properties of 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine?
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine has a molecular weight of 262.54 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine is sourced from PubChem (CID 104924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).