2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol

C12H8Cl2N2O — CID 696544

IUPAC2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccnc1
InChIInChI=1S/C12H8Cl2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+
InChIKeyVKCQVAXQHGVMMI-OMCISZLKSA-N
MW267.12 g/mol
LogP3.84
Rot. Bonds2

About 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol

2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol (PubChem CID 696544) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol
PubChem CID696544
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccnc1
InChIInChI=1S/C12H8Cl2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+
InChIKeyVKCQVAXQHGVMMI-OMCISZLKSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.84
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 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol?
The IUPAC name of 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol (CID 696544) is 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1cccnc1.
What is the InChIKey of 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol?
The InChIKey is VKCQVAXQHGVMMI-OMCISZLKSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+.
What are the key properties of 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol?
2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol has a molecular weight of 267.12 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(pyridin-3-yliminomethyl)phenol is sourced from PubChem (CID 696544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).