5-(6-bromo-2-pyridinyl)penta-2,4-dienal

C10H8BrNO — CID 54391429

IUPAC5-(6-bromo-2-pyridinyl)penta-2,4-dienal
SMILESO=CC=CC=Cc1cccc(Br)n1
InChIInChI=1S/C10H8BrNO/c11-10-7-4-6-9(12-10)5-2-1-3-8-13/h1-8H
InChIKeyVGXKYBBVUNTZJN-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.61
Rot. Bonds3

About 5-(6-bromo-2-pyridinyl)penta-2,4-dienal

5-(6-bromo-2-pyridinyl)penta-2,4-dienal (PubChem CID 54391429) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 5-(6-bromo-2-pyridinyl)penta-2,4-dienal.

Molecular Properties

Compound Name5-(6-bromo-2-pyridinyl)penta-2,4-dienal
PubChem CID54391429
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name5-(6-bromo-2-pyridinyl)penta-2,4-dienal
SMILESO=CC=CC=Cc1cccc(Br)n1
InChIInChI=1S/C10H8BrNO/c11-10-7-4-6-9(12-10)5-2-1-3-8-13/h1-8H
InChIKeyVGXKYBBVUNTZJN-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(E)-3-(6-bromo-2-pyridinyl)prop-2-enal
CID 58201316
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
(E)-4-(6-bromo-2-pyridinyl)but-3-en-2-one
CID 95564177
6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711
(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide
CID 118432044
(E)-1,3-bis(6-bromo-2-pyridinyl)prop-2-en-1-one
CID 11462766
methyl (E)-3-(6-bromo-2-pyridinyl)prop-2-enoate
CID 66524534
(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
CID 157026840
6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
CID 162168476
(3E)-3-[(6-bromo-2-pyridinyl)methylidene]pyrrolidine-2,5-dione
CID 56761048
6-bromopyridine-2-carbaldehyde;3-(3,4-dimethylphenyl)benzaldehyde
CID 157149657
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-pyridinyl)penta-2,4-dienal?
The IUPAC name of 5-(6-bromo-2-pyridinyl)penta-2,4-dienal (CID 54391429) is 5-(6-bromo-2-pyridinyl)penta-2,4-dienal.
What is the SMILES notation for 5-(6-bromo-2-pyridinyl)penta-2,4-dienal?
The canonical SMILES for 5-(6-bromo-2-pyridinyl)penta-2,4-dienal is O=CC=CC=Cc1cccc(Br)n1.
What is the InChIKey of 5-(6-bromo-2-pyridinyl)penta-2,4-dienal?
The InChIKey is VGXKYBBVUNTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-10-7-4-6-9(12-10)5-2-1-3-8-13/h1-8H.
What are the key properties of 5-(6-bromo-2-pyridinyl)penta-2,4-dienal?
5-(6-bromo-2-pyridinyl)penta-2,4-dienal has a molecular weight of 238.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-pyridinyl)penta-2,4-dienal is sourced from PubChem (CID 54391429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).