2-[(E)-pyridin-2-yliminomethyl]phenol

C12H10N2O — CID 135439975

IUPAC2-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccn1
InChIInChI=1S/C12H10N2O/c15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h1-9,15H/b14-9+
InChIKeyDYOIUODXXXAPDU-NTEUORMPSA-N
MW198.22 g/mol
LogP2.54
Rot. Bonds2

About 2-[(E)-pyridin-2-yliminomethyl]phenol

2-[(E)-pyridin-2-yliminomethyl]phenol (PubChem CID 135439975) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(E)-pyridin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-pyridin-2-yliminomethyl]phenol
PubChem CID135439975
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccn1
InChIInChI=1S/C12H10N2O/c15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h1-9,15H/b14-9+
InChIKeyDYOIUODXXXAPDU-NTEUORMPSA-N
XLogP2.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pyridin-2-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-pyridin-2-yliminomethyl]phenol (CID 135439975) is 2-[(E)-pyridin-2-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-pyridin-2-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-pyridin-2-yliminomethyl]phenol is Oc1ccccc1/C=N/c1ccccn1.
What is the InChIKey of 2-[(E)-pyridin-2-yliminomethyl]phenol?
The InChIKey is DYOIUODXXXAPDU-NTEUORMPSA-N. The full InChI is InChI=1S/C12H10N2O/c15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h1-9,15H/b14-9+.
What are the key properties of 2-[(E)-pyridin-2-yliminomethyl]phenol?
2-[(E)-pyridin-2-yliminomethyl]phenol has a molecular weight of 198.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pyridin-2-yliminomethyl]phenol is sourced from PubChem (CID 135439975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).