3-[(E)-2-(3-bromophenyl)ethenyl]pyridine

C13H10BrN — CID 69086206

IUPAC3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
SMILESBrc1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C13H10BrN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H/b7-6+
InChIKeyOCKHJDIXPNBNAU-VOTSOKGWSA-N
MW260.13 g/mol
LogP4.01
Rot. Bonds2

About 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine

3-[(E)-2-(3-bromophenyl)ethenyl]pyridine (PubChem CID 69086206) has the molecular formula C13H10BrN and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
PubChem CID69086206
Molecular FormulaC13H10BrN
Molecular Weight260.13 g/mol
Exact Mass259.00
IUPAC Name3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
SMILESBrc1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C13H10BrN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H/b7-6+
InChIKeyOCKHJDIXPNBNAU-VOTSOKGWSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
4-[(Z)-2-(3-bromophenyl)ethenyl]pyridine
CID 10038211
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
3-bromopyridine
CID 143579676
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine (CID 69086206) is 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine is Brc1cccc(/C=C/c2cccnc2)c1.
What is the InChIKey of 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine?
The InChIKey is OCKHJDIXPNBNAU-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10BrN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H/b7-6+.
What are the key properties of 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine?
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine has a molecular weight of 260.13 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-bromophenyl)ethenyl]pyridine is sourced from PubChem (CID 69086206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).