2-[(3-Pyridylimino)methyl]phenol

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Basic information

CAS: 40989-90-0
Standard SMILES: Oc1ccccc1C=Nc1cccnc1
InChIKey: RJMOGSGZQSAJDH-UHFFFAOYSA-N
Molecular formula: C12H10N2O
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.07931295

Names & identifiers

Preferred name: 2-[(3-Pyridylimino)methyl]phenol
IUPAC: 2-(pyridin-3-yliminomethyl)phenol

Names & synonyms

40989-90-02-[(3-pyridylimino)methyl]phenol6-((Pyridin-3-ylamino)methylene)cyclohexa-2,4-dienoneMFCD00239245NSC1312172-{[(pyridin-3-yl)imino]methyl}phenolMaybridge3_004902Oprea1_164272CCG-3502-(pyridin-3-yliminomethyl)phenolHMS1444O18AKOS003672023

Show more names

NSC-131217IDI1_016289ST451387202-((1E)-2-(3-pyridyl)-2-azavinyl)phenol

Database identifiers

CAS: 40989-90-0
PubChem CID: 279907
Nikkaji: J1.370.564J、J1.423.248F

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 218

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Compound notes

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