5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine

C12H14BrF3N2 — CID 145431823

IUPAC5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine
SMILESCCC/C=C/N=c1/c(C(F)(F)F)cc(Br)cn1C
InChIInChI=1S/C12H14BrF3N2/c1-3-4-5-6-17-11-10(12(14,15)16)7-9(13)8-18(11)2/h5-8H,3-4H2,1-2H3/b6-5+,17-11-
InChIKeyQOAASYXHVPTERL-CIZAXAEGSA-N
MW323.16 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine

5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine (PubChem CID 145431823) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine
PubChem CID145431823
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine
SMILESCCC/C=C/N=c1/c(C(F)(F)F)cc(Br)cn1C
InChIInChI=1S/C12H14BrF3N2/c1-3-4-5-6-17-11-10(12(14,15)16)7-9(13)8-18(11)2/h5-8H,3-4H2,1-2H3/b6-5+,17-11-
InChIKeyQOAASYXHVPTERL-CIZAXAEGSA-N
XLogP4.02
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.02
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
1-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145431783
6-bromo-7-(difluoromethyl)-2H-imidazo[1,2-a]pyridin-2-ide;ethane;palladium
CID 177040796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine (CID 145431823) is 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine is CCC/C=C/N=c1/c(C(F)(F)F)cc(Br)cn1C.
What is the InChIKey of 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine?
The InChIKey is QOAASYXHVPTERL-CIZAXAEGSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c1-3-4-5-6-17-11-10(12(14,15)16)7-9(13)8-18(11)2/h5-8H,3-4H2,1-2H3/b6-5+,17-11-.
What are the key properties of 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine?
5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine has a molecular weight of 323.16 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 145431823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).