3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol

C12H7Cl4NO2 — CID 18504688

IUPAC3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2
InChIKeyOPTXSSGBHIWWEM-UHFFFAOYSA-N
MW339.01 g/mol
LogP4.98
Rot. Bonds3

About 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol

3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol (PubChem CID 18504688) has the molecular formula C12H7Cl4NO2 and a molecular weight of 339.01 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
PubChem CID18504688
Molecular FormulaC12H7Cl4NO2
Molecular Weight339.01 g/mol
Exact Mass336.92
IUPAC Name3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2
InChIKeyOPTXSSGBHIWWEM-UHFFFAOYSA-N
XLogP4.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.01
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridalyl
CID 11488729
3,6-Dichloro-2-(4-methoxyphenoxy)pyridine
CID 70686995
2-Chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenol
CID 12897237
3,5-Dichloro-4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenol
CID 15376296
3,5-Dichloro-4-(3-(5-trifluoromethylpyridin-2-yloxy)propyloxy)phenol
CID 18504557
2-[6-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]hexoxy]-5-(trifluoromethyl)pyridine
CID 18504558
4-[3-[3,5-Bis(trifluoromethyl)pyridin-2-yl]oxypropoxy]-3,5-dichlorophenol
CID 18504585
3,5-Dichloro-4-[3-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxypropoxy]phenol
CID 18504606
3,5-Dichloro-4-[2-[5-(trifluoromethyl)pyridin-2-yl]oxyethoxy]phenol
CID 18504613
3,5-Dichloro-4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybutoxy]phenol
CID 18504616
3,5-Dichloro-4-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyhexoxy]phenol
CID 18504619
2-[4-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]-5-(trifluoromethyl)pyridine
CID 18504623

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol (CID 18504688) is 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol is Oc1cc(Cl)c(OCc2ccc(Cl)nc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
The InChIKey is OPTXSSGBHIWWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO2/c13-8-3-7(18)4-9(14)11(8)19-5-6-1-2-10(15)17-12(6)16/h1-4,18H,5H2.
What are the key properties of 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol?
3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol has a molecular weight of 339.01 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2,6-dichloro-3-pyridinyl)methoxy]phenol is sourced from PubChem (CID 18504688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).