[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

C15H12Cl2N2O3 — CID 2705773

IUPAC[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c1-19(10-5-3-2-4-6-10)13(20)9-22-15(21)14-11(16)7-8-12(17)18-14/h2-8H,9H2,1H3
InChIKeyOGBGRKOEBBLSQH-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.21
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 2705773) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID2705773
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c1-19(10-5-3-2-4-6-10)13(20)9-22-15(21)14-11(16)7-8-12(17)18-14/h2-8H,9H2,1H3
InChIKeyOGBGRKOEBBLSQH-UHFFFAOYSA-N
XLogP3.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-chloropicolinate
CID 242723
Clopyralid-methyl
CID 526485
2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
{[(4-Chlorophenyl)methyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 2485125
({[(4-Fluorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 4852748
[2-(2-Chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351819
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 9120355
({[(2-Chlorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 24856171
[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-methoxyethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 24979767
[2-(Benzylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4855153
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2161874
2-(4-Methylphenyl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2339712

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CID 2705773) is [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is CN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is OGBGRKOEBBLSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-19(10-5-3-2-4-6-10)13(20)9-22-15(21)14-11(16)7-8-12(17)18-14/h2-8H,9H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 339.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 2705773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).