[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite

C11H8ClNO4S — CID 57286074

IUPAC[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite
SMILESO=S(O)Oc1ccc(Oc2ncccc2Cl)cc1
InChIInChI=1S/C11H8ClNO4S/c12-10-2-1-7-13-11(10)16-8-3-5-9(6-4-8)17-18(14)15/h1-7H,(H,14,15)
InChIKeyNKQWNSWWWJPPEI-UHFFFAOYSA-N
MW285.71 g/mol
LogP3.04
Rot. Bonds4

About [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite

[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite (PubChem CID 57286074) has the molecular formula C11H8ClNO4S and a molecular weight of 285.71 g/mol. Its IUPAC name is [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite.

Molecular Properties

Compound Name[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite
PubChem CID57286074
Molecular FormulaC11H8ClNO4S
Molecular Weight285.71 g/mol
Exact Mass284.99
IUPAC Name[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite
SMILESO=S(O)Oc1ccc(Oc2ncccc2Cl)cc1
InChIInChI=1S/C11H8ClNO4S/c12-10-2-1-7-13-11(10)16-8-3-5-9(6-4-8)17-18(14)15/h1-7H,(H,14,15)
InChIKeyNKQWNSWWWJPPEI-UHFFFAOYSA-N
XLogP3.04
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
3-[(3-chloro-2-pyridinyl)oxy]phenol
CID 60870097
7-[(3-chloro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870856
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
pyridin-3-yl hydrogen sulfite
CID 68912651
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
CID 175078342
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
bis(3-chloro-2-pyridinyl) propanedioate
CID 69083398
[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
CID 46216386
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite?
The IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite (CID 57286074) is [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite.
What is the SMILES notation for [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite?
The canonical SMILES for [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite is O=S(O)Oc1ccc(Oc2ncccc2Cl)cc1.
What is the InChIKey of [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite?
The InChIKey is NKQWNSWWWJPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4S/c12-10-2-1-7-13-11(10)16-8-3-5-9(6-4-8)17-18(14)15/h1-7H,(H,14,15).
What are the key properties of [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite?
[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite has a molecular weight of 285.71 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite is sourced from PubChem (CID 57286074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).