[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol

C13H11Cl2NO2 — CID 80629406

IUPAC[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8-5-9(7-17)6-16-13(8)18-11-4-2-3-10(14)12(11)15/h2-6,17H,7H2,1H3
InChIKeyZUPPJDXHLVKJKR-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.98
Rot. Bonds3

About [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol

[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol (PubChem CID 80629406) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
PubChem CID80629406
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8-5-9(7-17)6-16-13(8)18-11-4-2-3-10(14)12(11)15/h2-6,17H,7H2,1H3
InChIKeyZUPPJDXHLVKJKR-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol (CID 80629406) is [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol?
The InChIKey is ZUPPJDXHLVKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8-5-9(7-17)6-16-13(8)18-11-4-2-3-10(14)12(11)15/h2-6,17H,7H2,1H3.
What are the key properties of [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol?
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol has a molecular weight of 284.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).