[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C10H11ClN2O3 — CID 2589643

IUPAC[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN2O3/c1-2-12-9(14)6-16-10(15)7-3-4-8(11)13-5-7/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyDQSHXKXQZXBISM-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.03
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2589643) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2589643
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN2O3/c1-2-12-9(14)6-16-10(15)7-3-4-8(11)13-5-7/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyDQSHXKXQZXBISM-UHFFFAOYSA-N
XLogP1.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2445173
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428729
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2673687
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2100173
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloropyridine-3-carboxylate
CID 8017449
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 6-chloropyridine-3-carboxylate
CID 9201685
[2-(4-methylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589725
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201670
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2589643) is [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is CCNC(=O)COC(=O)c1ccc(Cl)nc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is DQSHXKXQZXBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-2-12-9(14)6-16-10(15)7-3-4-8(11)13-5-7/h3-5H,2,6H2,1H3,(H,12,14).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 242.66 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2589643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).