sodium;2,6-dichloro-3-iodophenol;hydride

C6H4Cl2INaO — CID 175253528

IUPACsodium;2,6-dichloro-3-iodophenol;hydride
SMILESOc1c(Cl)ccc(I)c1Cl.[H-].[Na+]
InChIInChI=1S/C6H3Cl2IO.Na.H/c7-3-1-2-4(9)5(8)6(3)10;;/h1-2,10H;;/q;+1;-1
InChIKeyQEPCZMLCYVQYEB-UHFFFAOYSA-N
MW312.90 g/mol
LogP0.42
Rot. Bonds

About sodium;2,6-dichloro-3-iodophenol;hydride

sodium;2,6-dichloro-3-iodophenol;hydride (PubChem CID 175253528) has the molecular formula C6H4Cl2INaO and a molecular weight of 312.90 g/mol. Its IUPAC name is sodium;2,6-dichloro-3-iodophenol;hydride.

Molecular Properties

Compound Namesodium;2,6-dichloro-3-iodophenol;hydride
PubChem CID175253528
Molecular FormulaC6H4Cl2INaO
Molecular Weight312.90 g/mol
Exact Mass311.86
IUPAC Namesodium;2,6-dichloro-3-iodophenol;hydride
SMILESOc1c(Cl)ccc(I)c1Cl.[H-].[Na+]
InChIInChI=1S/C6H3Cl2IO.Na.H/c7-3-1-2-4(9)5(8)6(3)10;;/h1-2,10H;;/q;+1;-1
InChIKeyQEPCZMLCYVQYEB-UHFFFAOYSA-N
XLogP0.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.90
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;2,6-dichloro-3-iodophenol;hydride?
The IUPAC name of sodium;2,6-dichloro-3-iodophenol;hydride (CID 175253528) is sodium;2,6-dichloro-3-iodophenol;hydride.
What is the SMILES notation for sodium;2,6-dichloro-3-iodophenol;hydride?
The canonical SMILES for sodium;2,6-dichloro-3-iodophenol;hydride is Oc1c(Cl)ccc(I)c1Cl.[H-].[Na+].
What is the InChIKey of sodium;2,6-dichloro-3-iodophenol;hydride?
The InChIKey is QEPCZMLCYVQYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2IO.Na.H/c7-3-1-2-4(9)5(8)6(3)10;;/h1-2,10H;;/q;+1;-1.
What are the key properties of sodium;2,6-dichloro-3-iodophenol;hydride?
sodium;2,6-dichloro-3-iodophenol;hydride has a molecular weight of 312.90 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,6-dichloro-3-iodophenol;hydride is sourced from PubChem (CID 175253528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).