[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol

C14H13Cl2NO2 — CID 61257343

IUPAC[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(Cl)c(CO)n2)cc(C)c1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-8-5-10(6-9(2)14(8)16)19-13-4-3-11(15)12(7-18)17-13/h3-6,18H,7H2,1-2H3
InChIKeyAYHUHCGEBPIXEE-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.29
Rot. Bonds3

About [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol

[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol (PubChem CID 61257343) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
PubChem CID61257343
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(Cl)c(CO)n2)cc(C)c1Cl
InChIInChI=1S/C14H13Cl2NO2/c1-8-5-10(6-9(2)14(8)16)19-13-4-3-11(15)12(7-18)17-13/h3-6,18H,7H2,1-2H3
InChIKeyAYHUHCGEBPIXEE-UHFFFAOYSA-N
XLogP4.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol (CID 61257343) is [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol is Cc1cc(Oc2ccc(Cl)c(CO)n2)cc(C)c1Cl.
What is the InChIKey of [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol?
The InChIKey is AYHUHCGEBPIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-8-5-10(6-9(2)14(8)16)19-13-4-3-11(15)12(7-18)17-13/h3-6,18H,7H2,1-2H3.
What are the key properties of [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol?
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol has a molecular weight of 298.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61257343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).