methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate

C19H13Cl2NO3 — CID 66857367

IUPACmethyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C19H13Cl2NO3/c1-24-19(23)13-5-2-4-12(10-13)16-6-3-7-18(22-16)25-17-9-8-14(20)11-15(17)21/h2-11H,1H3
InChIKeyQOJHUOBOSXUNJI-UHFFFAOYSA-N
MW374.22 g/mol
LogP5.63
Rot. Bonds4

About methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate

methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate (PubChem CID 66857367) has the molecular formula C19H13Cl2NO3 and a molecular weight of 374.22 g/mol. Its IUPAC name is methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
PubChem CID66857367
Molecular FormulaC19H13Cl2NO3
Molecular Weight374.22 g/mol
Exact Mass373.03
IUPAC Namemethyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
SMILESCOC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C19H13Cl2NO3/c1-24-19(23)13-5-2-4-12(10-13)16-6-3-7-18(22-16)25-17-9-8-14(20)11-15(17)21/h2-11H,1H3
InChIKeyQOJHUOBOSXUNJI-UHFFFAOYSA-N
XLogP5.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.22
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate?
The IUPAC name of methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate (CID 66857367) is methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate.
What is the SMILES notation for methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate?
The canonical SMILES for methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate is COC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate?
The InChIKey is QOJHUOBOSXUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO3/c1-24-19(23)13-5-2-4-12(10-13)16-6-3-7-18(22-16)25-17-9-8-14(20)11-15(17)21/h2-11H,1H3.
What are the key properties of methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate?
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate has a molecular weight of 374.22 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate is sourced from PubChem (CID 66857367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).