5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine

C12H16BrClN2 — CID 145431994

IUPAC5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\c(Cl)cc(Br)cn1C
InChIInChI=1S/C12H16BrClN2/c1-4-5-6-9(2)15-12-11(14)7-10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+
InChIKeyJXTMHRANCNWRHW-LQAKELLUSA-N
MW303.63 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine

5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine (PubChem CID 145431994) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
PubChem CID145431994
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\c(Cl)cc(Br)cn1C
InChIInChI=1S/C12H16BrClN2/c1-4-5-6-9(2)15-12-11(14)7-10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+
InChIKeyJXTMHRANCNWRHW-LQAKELLUSA-N
XLogP4.05
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 177041274
5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine
CID 145432346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The IUPAC name of 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine (CID 145431994) is 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The canonical SMILES for 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine is CCC/C=C(C)/N=c1\c(Cl)cc(Br)cn1C.
What is the InChIKey of 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The InChIKey is JXTMHRANCNWRHW-LQAKELLUSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-4-5-6-9(2)15-12-11(14)7-10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+.
What are the key properties of 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine has a molecular weight of 303.63 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine is sourced from PubChem (CID 145431994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).