2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine

C18H13ClN2 — CID 166736635

IUPAC2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
SMILESClc1ncc(-c2cccnc2)cc1/C=C/c1ccccc1
InChIInChI=1S/C18H13ClN2/c19-18-15(9-8-14-5-2-1-3-6-14)11-17(13-21-18)16-7-4-10-20-12-16/h1-13H/b9-8+
InChIKeySEBSPFMYMDANLS-CMDGGOBGSA-N
MW292.77 g/mol
LogP4.97
Rot. Bonds3

About 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine

2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine (PubChem CID 166736635) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
PubChem CID166736635
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
SMILESClc1ncc(-c2cccnc2)cc1/C=C/c1ccccc1
InChIInChI=1S/C18H13ClN2/c19-18-15(9-8-14-5-2-1-3-6-14)11-17(13-21-18)16-7-4-10-20-12-16/h1-13H/b9-8+
InChIKeySEBSPFMYMDANLS-CMDGGOBGSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
CID 166742025
2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
CID 118352530
2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine
CID 140777525
1-[2-iodo-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridin-1-ium-1-yl]ethanone
CID 171750449
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
4-ethenyl-3-(2-phenylethenyl)pyridine
CID 66674858
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The IUPAC name of 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine (CID 166736635) is 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine is Clc1ncc(-c2cccnc2)cc1/C=C/c1ccccc1.
What is the InChIKey of 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The InChIKey is SEBSPFMYMDANLS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H13ClN2/c19-18-15(9-8-14-5-2-1-3-6-14)11-17(13-21-18)16-7-4-10-20-12-16/h1-13H/b9-8+.
What are the key properties of 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine has a molecular weight of 292.77 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 166736635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).