2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol

C13H10I2N2O — CID 135869135

IUPAC2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol
SMILESOc1c(I)cc(I)cc1/C=N/Cc1cccnc1
InChIInChI=1S/C13H10I2N2O/c14-11-4-10(13(18)12(15)5-11)8-17-7-9-2-1-3-16-6-9/h1-6,8,18H,7H2/b17-8+
InChIKeyMSVCUKYVZYIMLW-CAOOACKPSA-N
MW464.04 g/mol
LogP3.62
Rot. Bonds3

About 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol

2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol (PubChem CID 135869135) has the molecular formula C13H10I2N2O and a molecular weight of 464.04 g/mol. Its IUPAC name is 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol
PubChem CID135869135
Molecular FormulaC13H10I2N2O
Molecular Weight464.04 g/mol
Exact Mass463.89
IUPAC Name2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol
SMILESOc1c(I)cc(I)cc1/C=N/Cc1cccnc1
InChIInChI=1S/C13H10I2N2O/c14-11-4-10(13(18)12(15)5-11)8-17-7-9-2-1-3-16-6-9/h1-6,8,18H,7H2/b17-8+
InChIKeyMSVCUKYVZYIMLW-CAOOACKPSA-N
XLogP3.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.04
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
CID 135936172
4,6-ditert-butyl-3-(pyridin-3-ylmethyliminomethyl)benzene-1,2-diol
CID 170984159
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
CID 54404676
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
CID 135715757
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
CID 136835032
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 4194435
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
pyridin-3-ylmethyldiazene
CID 54345031
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol;hydrochloride
CID 136611939

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol?
The IUPAC name of 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol (CID 135869135) is 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol.
What is the SMILES notation for 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol?
The canonical SMILES for 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol is Oc1c(I)cc(I)cc1/C=N/Cc1cccnc1.
What is the InChIKey of 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol?
The InChIKey is MSVCUKYVZYIMLW-CAOOACKPSA-N. The full InChI is InChI=1S/C13H10I2N2O/c14-11-4-10(13(18)12(15)5-11)8-17-7-9-2-1-3-16-6-9/h1-6,8,18H,7H2/b17-8+.
What are the key properties of 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol?
2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol has a molecular weight of 464.04 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol is sourced from PubChem (CID 135869135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).