3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc

C12H10N2Zn — CID 175746701

IUPAC3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
SMILESC(=C/c1cccnc1)\c1cccnc1.[Zn]
InChIInChI=1S/C12H10N2.Zn/c1-3-11(9-13-7-1)5-6-12-4-2-8-14-10-12;/h1-10H;/b6-5+;
InChIKeyGJPVUQCHCMJKJI-IPZCTEOASA-N
MW247.62 g/mol
LogP2.64
Rot. Bonds2

About 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc (PubChem CID 175746701) has the molecular formula C12H10N2Zn and a molecular weight of 247.62 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc.

Molecular Properties

Compound Name3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
PubChem CID175746701
Molecular FormulaC12H10N2Zn
Molecular Weight247.62 g/mol
Exact Mass246.01
IUPAC Name3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
SMILESC(=C/c1cccnc1)\c1cccnc1.[Zn]
InChIInChI=1S/C12H10N2.Zn/c1-3-11(9-13-7-1)5-6-12-4-2-8-14-10-12;/h1-10H;/b6-5+;
InChIKeyGJPVUQCHCMJKJI-IPZCTEOASA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
CID 141207818
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-[2-(furan-2-yl)ethenyl]pyridine
CID 54559781
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
2-(2-pyridin-3-ylethenyl)-1,3-oxazole
CID 175956031

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc?
The IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc (CID 175746701) is 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc.
What is the SMILES notation for 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc?
The canonical SMILES for 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc is C(=C/c1cccnc1)\c1cccnc1.[Zn].
What is the InChIKey of 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc?
The InChIKey is GJPVUQCHCMJKJI-IPZCTEOASA-N. The full InChI is InChI=1S/C12H10N2.Zn/c1-3-11(9-13-7-1)5-6-12-4-2-8-14-10-12;/h1-10H;/b6-5+;.
What are the key properties of 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc?
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc has a molecular weight of 247.62 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc is sourced from PubChem (CID 175746701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).