1-(1-bromoethyl)-N-methylpyridin-2-imine

C8H11BrN2 — CID 130393158

IUPAC1-(1-bromoethyl)-N-methylpyridin-2-imine
SMILESC/N=c1\ccccn1C(C)Br
InChIInChI=1S/C8H11BrN2/c1-7(9)11-6-4-3-5-8(11)10-2/h3-7H,1-2H3/b10-8+
InChIKeyVHMPUGKINOMOKA-CSKARUKUSA-N
MW215.09 g/mol
LogP1.93
Rot. Bonds1

About 1-(1-bromoethyl)-N-methylpyridin-2-imine

1-(1-bromoethyl)-N-methylpyridin-2-imine (PubChem CID 130393158) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(1-bromoethyl)-N-methylpyridin-2-imine.

Molecular Properties

Compound Name1-(1-bromoethyl)-N-methylpyridin-2-imine
PubChem CID130393158
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(1-bromoethyl)-N-methylpyridin-2-imine
SMILESC/N=c1\ccccn1C(C)Br
InChIInChI=1S/C8H11BrN2/c1-7(9)11-6-4-3-5-8(11)10-2/h3-7H,1-2H3/b10-8+
InChIKeyVHMPUGKINOMOKA-CSKARUKUSA-N
XLogP1.93
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
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 1-(1-bromoethyl)-N-methylpyridin-2-imine?
The IUPAC name of 1-(1-bromoethyl)-N-methylpyridin-2-imine (CID 130393158) is 1-(1-bromoethyl)-N-methylpyridin-2-imine.
What is the SMILES notation for 1-(1-bromoethyl)-N-methylpyridin-2-imine?
The canonical SMILES for 1-(1-bromoethyl)-N-methylpyridin-2-imine is C/N=c1\ccccn1C(C)Br.
What is the InChIKey of 1-(1-bromoethyl)-N-methylpyridin-2-imine?
The InChIKey is VHMPUGKINOMOKA-CSKARUKUSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-7(9)11-6-4-3-5-8(11)10-2/h3-7H,1-2H3/b10-8+.
What are the key properties of 1-(1-bromoethyl)-N-methylpyridin-2-imine?
1-(1-bromoethyl)-N-methylpyridin-2-imine has a molecular weight of 215.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-N-methylpyridin-2-imine is sourced from PubChem (CID 130393158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).