2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine

C18H19N — CID 155016895

IUPAC2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine
SMILESC/C=C(\C=C(C)C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C18H19N/c1-4-15(12-14(2)3)16-8-7-9-17(13-16)18-10-5-6-11-19-18/h4-13H,1-3H3/b15-4+
InChIKeyWISOCOQFTBOHAP-SYZQJQIISA-N
MW249.36 g/mol
LogP5.12
Rot. Bonds3

About 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine

2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine (PubChem CID 155016895) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine
PubChem CID155016895
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine
SMILESC/C=C(\C=C(C)C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C18H19N/c1-4-15(12-14(2)3)16-8-7-9-17(13-16)18-10-5-6-11-19-18/h4-13H,1-3H3/b15-4+
InChIKeyWISOCOQFTBOHAP-SYZQJQIISA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-pyridin-2-ylbenzoate
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2-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]pyridine
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2-phenylpyridine;propan-2-one
CID 174845023
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
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trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
CID 88529992
CID 88529992
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine (CID 155016895) is 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine is C/C=C(\C=C(C)C)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine?
The InChIKey is WISOCOQFTBOHAP-SYZQJQIISA-N. The full InChI is InChI=1S/C18H19N/c1-4-15(12-14(2)3)16-8-7-9-17(13-16)18-10-5-6-11-19-18/h4-13H,1-3H3/b15-4+.
What are the key properties of 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine?
2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine has a molecular weight of 249.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine is sourced from PubChem (CID 155016895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).