2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde

C12H9NOS — CID 11622621

IUPAC2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1/C=C/c1ccccn1
InChIInChI=1S/C12H9NOS/c14-9-10-6-8-15-12(10)5-4-11-3-1-2-7-13-11/h1-9H/b5-4+
InChIKeyVUAQYUKSXBIJSZ-SNAWJCMRSA-N
MW215.28 g/mol
LogP3.13
Rot. Bonds3

About 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde

2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde (PubChem CID 11622621) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde
PubChem CID11622621
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1/C=C/c1ccccn1
InChIInChI=1S/C12H9NOS/c14-9-10-6-8-15-12(10)5-4-11-3-1-2-7-13-11/h1-9H/b5-4+
InChIKeyVUAQYUKSXBIJSZ-SNAWJCMRSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
(E)-3-(3-formylthiophen-2-yl)prop-2-enoic acid
CID 90072955
5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
CID 15852211
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
cyclobutane;2-[2-(2-fluorophenyl)ethenyl]pyridine
CID 175276966
but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
5-(pyridin-2-ylmethylidene)-6H-cyclopenta[b]thiophen-4-one
CID 4873391
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde (CID 11622621) is 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde is O=Cc1ccsc1/C=C/c1ccccn1.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde?
The InChIKey is VUAQYUKSXBIJSZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9NOS/c14-9-10-6-8-15-12(10)5-4-11-3-1-2-7-13-11/h1-9H/b5-4+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde?
2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde has a molecular weight of 215.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 11622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).