1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide

C14H15BrN2 — CID 6445350

IUPAC1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2.BrH/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13;/h1-9,11-12,15H,10H2;1H/b7-4+;
InChIKeyWQPPTJYBLHKSDR-KQGICBIGSA-N
MW291.19 g/mol
LogP3.26
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide

1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide (PubChem CID 6445350) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide
PubChem CID6445350
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide
SMILESBr.[H]N=c1ccn(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2.BrH/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13;/h1-9,11-12,15H,10H2;1H/b7-4+;
InChIKeyWQPPTJYBLHKSDR-KQGICBIGSA-N
XLogP3.26
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
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CID 4021995
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
CID 173153932
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
1-(3-phenylprop-2-enyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 76982315

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide (CID 6445350) is 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide is Br.[H]N=c1ccn(C/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide?
The InChIKey is WQPPTJYBLHKSDR-KQGICBIGSA-N. The full InChI is InChI=1S/C14H14N2.BrH/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13;/h1-9,11-12,15H,10H2;1H/b7-4+;.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide?
1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide has a molecular weight of 291.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide is sourced from PubChem (CID 6445350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).