3-chlorobenzene-1,2-diol;hydroiodide

C6H6ClIO2 — CID 70006724

IUPAC3-chlorobenzene-1,2-diol;hydroiodide
SMILESI.Oc1cccc(Cl)c1O
InChIInChI=1S/C6H5ClO2.HI/c7-4-2-1-3-5(8)6(4)9;/h1-3,8-9H;1H
InChIKeyYZGNJFFMRBIDLR-UHFFFAOYSA-N
MW272.47 g/mol
LogP2.37
Rot. Bonds

About 3-chlorobenzene-1,2-diol;hydroiodide

3-chlorobenzene-1,2-diol;hydroiodide (PubChem CID 70006724) has the molecular formula C6H6ClIO2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 3-chlorobenzene-1,2-diol;hydroiodide.

Molecular Properties

Compound Name3-chlorobenzene-1,2-diol;hydroiodide
PubChem CID70006724
Molecular FormulaC6H6ClIO2
Molecular Weight272.47 g/mol
Exact Mass271.91
IUPAC Name3-chlorobenzene-1,2-diol;hydroiodide
SMILESI.Oc1cccc(Cl)c1O
InChIInChI=1S/C6H5ClO2.HI/c7-4-2-1-3-5(8)6(4)9;/h1-3,8-9H;1H
InChIKeyYZGNJFFMRBIDLR-UHFFFAOYSA-N
XLogP2.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzene-1,2,3-triol
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benzene-1,2,3-triol;bismuthane
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2-chloro-6-[(2-hydroxyphenyl)methyl]phenol
CID 22151945
bis(2-chlorophenol);tungsten
CID 88625581
potassium;2,3-dichlorophenol;hydride
CID 174676852
2-amino-3-chlorophenol
CID 19828962
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
CID 11954040
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
CID 173433911
CID 168785803
CID 168785803

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzene-1,2-diol;hydroiodide?
The IUPAC name of 3-chlorobenzene-1,2-diol;hydroiodide (CID 70006724) is 3-chlorobenzene-1,2-diol;hydroiodide.
What is the SMILES notation for 3-chlorobenzene-1,2-diol;hydroiodide?
The canonical SMILES for 3-chlorobenzene-1,2-diol;hydroiodide is I.Oc1cccc(Cl)c1O.
What is the InChIKey of 3-chlorobenzene-1,2-diol;hydroiodide?
The InChIKey is YZGNJFFMRBIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2.HI/c7-4-2-1-3-5(8)6(4)9;/h1-3,8-9H;1H.
What are the key properties of 3-chlorobenzene-1,2-diol;hydroiodide?
3-chlorobenzene-1,2-diol;hydroiodide has a molecular weight of 272.47 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzene-1,2-diol;hydroiodide is sourced from PubChem (CID 70006724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).