[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

C15H12Cl2N2O3 — CID 2407310

IUPAC[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c1-19(11-5-3-2-4-6-11)13(20)9-22-15(21)10-7-12(16)14(17)18-8-10/h2-8H,9H2,1H3
InChIKeySORBJZRWPPZWKF-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.21
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (PubChem CID 2407310) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
PubChem CID2407310
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H12Cl2N2O3/c1-19(11-5-3-2-4-6-11)13(20)9-22-15(21)10-7-12(16)14(17)18-8-10/h2-8H,9H2,1H3
InChIKeySORBJZRWPPZWKF-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

[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2092523
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021525
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 55397218
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2425256
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 7992345
[2-(ethoxycarbonylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021617
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (CID 2407310) is [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is CN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The InChIKey is SORBJZRWPPZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-19(11-5-3-2-4-6-11)13(20)9-22-15(21)10-7-12(16)14(17)18-8-10/h2-8H,9H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-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] 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 2407310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).