6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine

C8H8BrClN2 — CID 169475126

IUPAC6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
SMILESNc1ccc(C=CCBr)nc1Cl
InChIInChI=1S/C8H8BrClN2/c9-5-1-2-6-3-4-7(11)8(10)12-6/h1-4H,5,11H2
InChIKeyQUKKEDPHNAWVKM-UHFFFAOYSA-N
MW247.52 g/mol
LogP2.73
Rot. Bonds2

About 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine

6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine (PubChem CID 169475126) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine.

Molecular Properties

Compound Name6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
PubChem CID169475126
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
SMILESNc1ccc(C=CCBr)nc1Cl
InChIInChI=1S/C8H8BrClN2/c9-5-1-2-6-3-4-7(11)8(10)12-6/h1-4H,5,11H2
InChIKeyQUKKEDPHNAWVKM-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine?
The IUPAC name of 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine (CID 169475126) is 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine.
What is the SMILES notation for 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine?
The canonical SMILES for 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine is Nc1ccc(C=CCBr)nc1Cl.
What is the InChIKey of 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine?
The InChIKey is QUKKEDPHNAWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c9-5-1-2-6-3-4-7(11)8(10)12-6/h1-4H,5,11H2.
What are the key properties of 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine?
6-(3-bromoprop-1-enyl)-2-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 6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine is sourced from PubChem (CID 169475126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).