6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine

C9H11BrN2 — CID 169475152

IUPAC6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C=CCBr)c1
InChIInChI=1S/C9H11BrN2/c1-7-5-8(3-2-4-10)12-9(11)6-7/h2-3,5-6H,4H2,1H3,(H2,11,12)
InChIKeyXJEQGDSVGGDNGW-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.38
Rot. Bonds2

About 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine

6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine (PubChem CID 169475152) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
PubChem CID169475152
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C=CCBr)c1
InChIInChI=1S/C9H11BrN2/c1-7-5-8(3-2-4-10)12-9(11)6-7/h2-3,5-6H,4H2,1H3,(H2,11,12)
InChIKeyXJEQGDSVGGDNGW-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.38
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 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine (CID 169475152) is 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine is Cc1cc(N)nc(C=CCBr)c1.
What is the InChIKey of 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine?
The InChIKey is XJEQGDSVGGDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-7-5-8(3-2-4-10)12-9(11)6-7/h2-3,5-6H,4H2,1H3,(H2,11,12).
What are the key properties of 6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine?
6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine has a molecular weight of 227.11 g/mol, XLogP of 2.38, 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)-4-methylpyridin-2-amine is sourced from PubChem (CID 169475152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).