(2E)-5-pyridin-2-ylpenta-2,4-dienal

C10H9NO — CID 87959329

IUPAC(2E)-5-pyridin-2-ylpenta-2,4-dienal
SMILESO=C/C=C/C=Cc1ccccn1
InChIInChI=1S/C10H9NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h1-9H/b5-1+,6-2?
InChIKeyQPRHBTFCEFQAQR-XBFGBUBWSA-N
MW159.19 g/mol
LogP1.85
Rot. Bonds3

About (2E)-5-pyridin-2-ylpenta-2,4-dienal

(2E)-5-pyridin-2-ylpenta-2,4-dienal (PubChem CID 87959329) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (2E)-5-pyridin-2-ylpenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-5-pyridin-2-ylpenta-2,4-dienal
PubChem CID87959329
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(2E)-5-pyridin-2-ylpenta-2,4-dienal
SMILESO=C/C=C/C=Cc1ccccn1
InChIInChI=1S/C10H9NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h1-9H/b5-1+,6-2?
InChIKeyQPRHBTFCEFQAQR-XBFGBUBWSA-N
XLogP1.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
(3Z)-4-pyridin-2-ylbuta-1,3-dien-1-one
CID 45079584
3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole
CID 91533695
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine
CID 91023866
5-(6-bromo-2-pyridinyl)penta-2,4-dienal
CID 54391429
5-[(1E,3E)-4-pyridin-2-ylbuta-1,3-dienyl]pyrimidine
CID 87145403
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-(4-naphthalen-2-ylbuta-1,3-dienyl)pyridine
CID 90870778
2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
CID 87145440

Frequently Asked Questions

What is the IUPAC name of (2E)-5-pyridin-2-ylpenta-2,4-dienal?
The IUPAC name of (2E)-5-pyridin-2-ylpenta-2,4-dienal (CID 87959329) is (2E)-5-pyridin-2-ylpenta-2,4-dienal.
What is the SMILES notation for (2E)-5-pyridin-2-ylpenta-2,4-dienal?
The canonical SMILES for (2E)-5-pyridin-2-ylpenta-2,4-dienal is O=C/C=C/C=Cc1ccccn1.
What is the InChIKey of (2E)-5-pyridin-2-ylpenta-2,4-dienal?
The InChIKey is QPRHBTFCEFQAQR-XBFGBUBWSA-N. The full InChI is InChI=1S/C10H9NO/c12-9-5-1-2-6-10-7-3-4-8-11-10/h1-9H/b5-1+,6-2?.
What are the key properties of (2E)-5-pyridin-2-ylpenta-2,4-dienal?
(2E)-5-pyridin-2-ylpenta-2,4-dienal has a molecular weight of 159.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-pyridin-2-ylpenta-2,4-dienal is sourced from PubChem (CID 87959329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).