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

C12H17BrN2 — CID 145431783

IUPAC5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1\c(C)cc(Br)cn1C
InChIInChI=1S/C12H17BrN2/c1-4-5-6-7-14-12-10(2)8-11(13)9-15(12)3/h6-9H,4-5H2,1-3H3/b7-6+,14-12+
InChIKeyCWPHCAOWJWJHIQ-CKRYPDTRSA-N
MW269.19 g/mol
LogP3.31
Rot. Bonds3

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

5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine (PubChem CID 145431783) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
PubChem CID145431783
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1\c(C)cc(Br)cn1C
InChIInChI=1S/C12H17BrN2/c1-4-5-6-7-14-12-10(2)8-11(13)9-15(12)3/h6-9H,4-5H2,1-3H3/b7-6+,14-12+
InChIKeyCWPHCAOWJWJHIQ-CKRYPDTRSA-N
XLogP3.31
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-methyl-N-[(E)-pent-1-enyl]-3-(trifluoromethyl)pyridin-2-imine
CID 145431823
5-bromo-1,3-dimethyl-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]pyridin-2-imine
CID 145432190
(2E,4Z)-N,2-bis(ethenyl)-N'-ethynyl-N-methylhepta-2,4,6-trienimidamide
CID 134524701
(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
CID 134524702
(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 138667497
(3E)-N,N-dimethyl-4-methylidene-3-prop-2-enylidenepyridin-2-amine
CID 142471394
ethane;1-ethenyl-N,4-dimethylpyridin-2-imine
CID 143611153
ethane;1-ethenyl-N,3-dimethylpyridin-2-imine
CID 143611164
ethane;N-ethenyl-1,3-dimethylpyridin-2-imine
CID 144098482
N-ethenyl-1,3-dimethylpyridin-2-imine
CID 144098483
5-bromo-1-methyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432053
2-[5-bromo-1-methyl-2-[(Z)-prop-1-enyl]imino-3-pyridinyl]acetonitrile
CID 145432054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The IUPAC name of 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine (CID 145431783) is 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine is CCC/C=C/N=c1\c(C)cc(Br)cn1C.
What is the InChIKey of 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
The InChIKey is CWPHCAOWJWJHIQ-CKRYPDTRSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-4-5-6-7-14-12-10(2)8-11(13)9-15(12)3/h6-9H,4-5H2,1-3H3/b7-6+,14-12+.
What are the key properties of 5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine?
5-bromo-1,3-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine has a molecular weight of 269.19 g/mol, XLogP of 3.31, 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)-pent-1-enyl]pyridin-2-imine is sourced from PubChem (CID 145431783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).