5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine

C19H22N2 — CID 59001823

IUPAC5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine
SMILESCCC/C=C/CC/C=C/c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C19H22N2/c1-2-3-4-5-6-7-8-9-17-10-11-19(21-16-17)18-12-14-20-15-13-18/h4-5,8-16H,2-3,6-7H2,1H3/b5-4+,9-8+
InChIKeyLRKQVPNRHBFOMP-KQWYESAVSA-N
MW278.40 g/mol
LogP5.29
Rot. Bonds7

About 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine

5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine (PubChem CID 59001823) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine
PubChem CID59001823
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine
SMILESCCC/C=C/CC/C=C/c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C19H22N2/c1-2-3-4-5-6-7-8-9-17-10-11-19(21-16-17)18-12-14-20-15-13-18/h4-5,8-16H,2-3,6-7H2,1H3/b5-4+,9-8+
InChIKeyLRKQVPNRHBFOMP-KQWYESAVSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine?
The IUPAC name of 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine (CID 59001823) is 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine.
What is the SMILES notation for 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine?
The canonical SMILES for 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine is CCC/C=C/CC/C=C/c1ccc(-c2ccncc2)nc1.
What is the InChIKey of 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine?
The InChIKey is LRKQVPNRHBFOMP-KQWYESAVSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-4-5-6-7-8-9-17-10-11-19(21-16-17)18-12-14-20-15-13-18/h4-5,8-16H,2-3,6-7H2,1H3/b5-4+,9-8+.
What are the key properties of 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine?
5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine has a molecular weight of 278.40 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,5E)-nona-1,5-dienyl]-2-pyridin-4-ylpyridine is sourced from PubChem (CID 59001823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).