methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate

C15H13Cl2NO4 — CID 69318370

IUPACmethyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
SMILESCCOc1ccc(C(=O)OC)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H13Cl2NO4/c1-3-21-13-7-5-10(15(19)20-2)14(18-13)22-12-6-4-9(16)8-11(12)17/h4-8H,3H2,1-2H3
InChIKeyQDSBLIZMLHJFOJ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.37
Rot. Bonds5

About methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate

methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate (PubChem CID 69318370) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
PubChem CID69318370
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namemethyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate
SMILESCCOc1ccc(C(=O)OC)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H13Cl2NO4/c1-3-21-13-7-5-10(15(19)20-2)14(18-13)22-12-6-4-9(16)8-11(12)17/h4-8H,3H2,1-2H3
InChIKeyQDSBLIZMLHJFOJ-UHFFFAOYSA-N
XLogP4.37
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate
CID 69318080
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
CID 63591158
methyl 5-(2,4-dichlorophenoxy)-2-methylbenzoate
CID 20648456
methyl 5-chloro-2-[[6-(4-chloro-2-methoxycarbonylphenoxy)-5-nitro-2-pyridinyl]oxy]benzoate
CID 2741452
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
CID 1214892
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate (CID 69318370) is methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate is CCOc1ccc(C(=O)OC)c(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate?
The InChIKey is QDSBLIZMLHJFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-3-21-13-7-5-10(15(19)20-2)14(18-13)22-12-6-4-9(16)8-11(12)17/h4-8H,3H2,1-2H3.
What are the key properties of methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate?
methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate has a molecular weight of 342.18 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichlorophenoxy)-6-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 69318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).