5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine

C12H16BrFN2 — CID 177041274

IUPAC5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\cc(F)c(Br)cn1C
InChIInChI=1S/C12H16BrFN2/c1-4-5-6-9(2)15-12-7-11(14)10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+
InChIKeyAWZNBJIZEHPFAJ-LQAKELLUSA-N
MW287.18 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine

5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine (PubChem CID 177041274) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
PubChem CID177041274
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
SMILESCCC/C=C(C)/N=c1\cc(F)c(Br)cn1C
InChIInChI=1S/C12H16BrFN2/c1-4-5-6-9(2)15-12-7-11(14)10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+
InChIKeyAWZNBJIZEHPFAJ-LQAKELLUSA-N
XLogP3.53
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
CID 145432190
5-bromo-3-chloro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 145431994
5-bromo-1-methyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432053
5-bromo-N-[(E)-hex-2-en-2-yl]-1,3-dimethylpyridin-2-imine
CID 145432346
5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The IUPAC name of 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine (CID 177041274) is 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine.
What is the SMILES notation for 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The canonical SMILES for 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine is CCC/C=C(C)/N=c1\cc(F)c(Br)cn1C.
What is the InChIKey of 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
The InChIKey is AWZNBJIZEHPFAJ-LQAKELLUSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-4-5-6-9(2)15-12-7-11(14)10(13)8-16(12)3/h6-8H,4-5H2,1-3H3/b9-6+,15-12+.
What are the key properties of 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine?
5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine has a molecular weight of 287.18 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine is sourced from PubChem (CID 177041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).