3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine

C11H11Br2N — CID 144607651

IUPAC3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine
SMILESC/C(Br)=C\C(=C/CBr)c1cccnc1
InChIInChI=1S/C11H11Br2N/c1-9(13)7-10(4-5-12)11-3-2-6-14-8-11/h2-4,6-8H,5H2,1H3/b9-7+,10-4+
InChIKeyHMVORPCJAHXLQV-FXLUECPISA-N
MW317.02 g/mol
LogP4.16
Rot. Bonds3

About 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine

3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine (PubChem CID 144607651) has the molecular formula C11H11Br2N and a molecular weight of 317.02 g/mol. Its IUPAC name is 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine.

Molecular Properties

Compound Name3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine
PubChem CID144607651
Molecular FormulaC11H11Br2N
Molecular Weight317.02 g/mol
Exact Mass314.93
IUPAC Name3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine
SMILESC/C(Br)=C\C(=C/CBr)c1cccnc1
InChIInChI=1S/C11H11Br2N/c1-9(13)7-10(4-5-12)11-3-2-6-14-8-11/h2-4,6-8H,5H2,1H3/b9-7+,10-4+
InChIKeyHMVORPCJAHXLQV-FXLUECPISA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 18346839
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ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
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(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
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1-pyridin-3-ylethanone;hydrochloride
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5-pyridin-3-ylhex-4-en-1-amine
CID 57174688
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
CID 54592364
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
CID 172748531
CID 172748531
formonitrile;1-pyridin-3-ylethanone
CID 174750729

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine?
The IUPAC name of 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine (CID 144607651) is 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine.
What is the SMILES notation for 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine?
The canonical SMILES for 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine is C/C(Br)=C\C(=C/CBr)c1cccnc1.
What is the InChIKey of 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine?
The InChIKey is HMVORPCJAHXLQV-FXLUECPISA-N. The full InChI is InChI=1S/C11H11Br2N/c1-9(13)7-10(4-5-12)11-3-2-6-14-8-11/h2-4,6-8H,5H2,1H3/b9-7+,10-4+.
What are the key properties of 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine?
3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine has a molecular weight of 317.02 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine is sourced from PubChem (CID 144607651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).