2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

C10H7I2N3O2 — CID 2867079

IUPAC2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+
InChIKeyJAUPBQPGQMPEAD-YIXHJXPBSA-N
MW454.99 g/mol
LogP3.04
Rot. Bonds2

About 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 2867079) has the molecular formula C10H7I2N3O2 and a molecular weight of 454.99 g/mol. Its IUPAC name is 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID2867079
Molecular FormulaC10H7I2N3O2
Molecular Weight454.99 g/mol
Exact Mass454.86
IUPAC Name2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+
InChIKeyJAUPBQPGQMPEAD-YIXHJXPBSA-N
XLogP3.04
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 2867079) is 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Cc1nonc1/N=C/c1cc(I)cc(I)c1O.
What is the InChIKey of 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is JAUPBQPGQMPEAD-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7I2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+.
What are the key properties of 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 454.99 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 2867079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).