2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine

C16H13NO — CID 68910900

IUPAC2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine
SMILESC1=C(/C=C/c2ccccn2)COc2ccccc21
InChIInChI=1S/C16H13NO/c1-2-7-16-14(5-1)11-13(12-18-16)8-9-15-6-3-4-10-17-15/h1-11H,12H2/b9-8+
InChIKeyIGWPOLBQCRZXMA-CMDGGOBGSA-N
MW235.29 g/mol
LogP3.57
Rot. Bonds2

About 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine

2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine (PubChem CID 68910900) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine
PubChem CID68910900
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine
SMILESC1=C(/C=C/c2ccccn2)COc2ccccc21
InChIInChI=1S/C16H13NO/c1-2-7-16-14(5-1)11-13(12-18-16)8-9-15-6-3-4-10-17-15/h1-11H,12H2/b9-8+
InChIKeyIGWPOLBQCRZXMA-CMDGGOBGSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2391
CID 2391
CID 5310985
CID 5310985
CID 14860
CID 14860
CID 84242
CID 84242
CID 295871
CID 295871
CID 735606
CID 735606
CID 3036546
CID 3036546
CID 3035604
CID 3035604
CID 122163387
CID 122163387
CID 521938
CID 521938
CID 6539771
CID 6539771
CID 6539772
CID 6539772

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine (CID 68910900) is 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine is C1=C(/C=C/c2ccccn2)COc2ccccc21.
What is the InChIKey of 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine?
The InChIKey is IGWPOLBQCRZXMA-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-7-16-14(5-1)11-13(12-18-16)8-9-15-6-3-4-10-17-15/h1-11H,12H2/b9-8+.
What are the key properties of 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine?
2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine has a molecular weight of 235.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine is sourced from PubChem (CID 68910900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).