2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine

C8H8BrClN2 — CID 169475127

IUPAC2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine
SMILESNc1cc(Cl)cnc1C=CCBr
InChIInChI=1S/C8H8BrClN2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2
InChIKeyBPLAHYYDEZKIOY-UHFFFAOYSA-N
MW247.52 g/mol
LogP2.73
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine

2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine (PubChem CID 169475127) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine
PubChem CID169475127
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine
SMILESNc1cc(Cl)cnc1C=CCBr
InChIInChI=1S/C8H8BrClN2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2
InChIKeyBPLAHYYDEZKIOY-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine?
The IUPAC name of 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine (CID 169475127) is 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine is Nc1cc(Cl)cnc1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine?
The InChIKey is BPLAHYYDEZKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3,11H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine?
2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine has a molecular weight of 247.52 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine is sourced from PubChem (CID 169475127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).