(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde

C10H9N3O — CID 153003260

IUPAC(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde
SMILESC=C/N=C1\C=CC(C=O)=N\C1=C\N=C
InChIInChI=1S/C10H9N3O/c1-3-12-9-5-4-8(7-14)13-10(9)6-11-2/h3-7H,1-2H2/b10-6+,12-9+
InChIKeyUYOPUYMCZPJCNN-KOOBJXAQSA-N
MW187.20 g/mol
LogP1.32
Rot. Bonds3

About (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde

(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde (PubChem CID 153003260) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde
PubChem CID153003260
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde
SMILESC=C/N=C1\C=CC(C=O)=N\C1=C\N=C
InChIInChI=1S/C10H9N3O/c1-3-12-9-5-4-8(7-14)13-10(9)6-11-2/h3-7H,1-2H2/b10-6+,12-9+
InChIKeyUYOPUYMCZPJCNN-KOOBJXAQSA-N
XLogP1.32
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde?
The IUPAC name of (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde (CID 153003260) is (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde.
What is the SMILES notation for (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde?
The canonical SMILES for (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde is C=C/N=C1\C=CC(C=O)=N\C1=C\N=C.
What is the InChIKey of (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde?
The InChIKey is UYOPUYMCZPJCNN-KOOBJXAQSA-N. The full InChI is InChI=1S/C10H9N3O/c1-3-12-9-5-4-8(7-14)13-10(9)6-11-2/h3-7H,1-2H2/b10-6+,12-9+.
What are the key properties of (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde?
(6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-ethenylimino-6-[(methylideneamino)methylidene]pyridine-2-carbaldehyde is sourced from PubChem (CID 153003260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).