5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine

C13H16BrF3N2 — CID 145432190

IUPAC5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
SMILESCCC/C=C(/N=c1\c(C)cc(Br)cn1C)C(F)(F)F
InChIInChI=1S/C13H16BrF3N2/c1-4-5-6-11(13(15,16)17)18-12-9(2)7-10(14)8-19(12)3/h6-8H,4-5H2,1-3H3/b11-6+,18-12+
InChIKeyPJPJIFZZTWMZJU-INVULMLHSA-N
MW337.18 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine

5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine (PubChem CID 145432190) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
PubChem CID145432190
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
SMILESCCC/C=C(/N=c1\c(C)cc(Br)cn1C)C(F)(F)F
InChIInChI=1S/C13H16BrF3N2/c1-4-5-6-11(13(15,16)17)18-12-9(2)7-10(14)8-19(12)3/h6-8H,4-5H2,1-3H3/b11-6+,18-12+
InChIKeyPJPJIFZZTWMZJU-INVULMLHSA-N
XLogP4.24
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine with MolForge

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Related Compounds

5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine
CID 145431823
5-bromo-4-fluoro-N-[(E)-hex-2-en-2-yl]-1-methylpyridin-2-imine
CID 177041274
1-[3-bromo-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylmethanamine
CID 177778358
5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145431783
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-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine?
The IUPAC name of 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine (CID 145432190) is 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine is CCC/C=C(/N=c1\c(C)cc(Br)cn1C)C(F)(F)F.
What is the InChIKey of 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine?
The InChIKey is PJPJIFZZTWMZJU-INVULMLHSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c1-4-5-6-11(13(15,16)17)18-12-9(2)7-10(14)8-19(12)3/h6-8H,4-5H2,1-3H3/b11-6+,18-12+.
What are the key properties of 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine?
5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine has a molecular weight of 337.18 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine is sourced from PubChem (CID 145432190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).