pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate

C14H11Cl2NO2 — CID 9113213

IUPACpyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCc1ccccn1
InChIInChI=1S/C14H11Cl2NO2/c15-12-5-3-6-13(16)11(12)8-14(18)19-9-10-4-1-2-7-17-10/h1-7H,8-9H2
InChIKeyVGRNTLUBZUKSBA-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.67
Rot. Bonds4

About pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate

pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate (PubChem CID 9113213) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
PubChem CID9113213
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Namepyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCc1ccccn1
InChIInChI=1S/C14H11Cl2NO2/c15-12-5-3-6-13(16)11(12)8-14(18)19-9-10-4-1-2-7-17-10/h1-7H,8-9H2
InChIKeyVGRNTLUBZUKSBA-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate (CID 9113213) is pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate is O=C(Cc1c(Cl)cccc1Cl)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate?
The InChIKey is VGRNTLUBZUKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-12-5-3-6-13(16)11(12)8-14(18)19-9-10-4-1-2-7-17-10/h1-7H,8-9H2.
What are the key properties of pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate?
pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate has a molecular weight of 296.15 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 9113213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).