[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate

C14H10Cl2N2O3 — CID 2515590

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-10-5-1-2-6-11(10)18-12(19)8-21-14(20)9-4-3-7-17-13(9)16/h1-7H,8H2,(H,18,19)
InChIKeyBBLHLSYCXSPWKG-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.18
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate

[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate (PubChem CID 2515590) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
PubChem CID2515590
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-10-5-1-2-6-11(10)18-12(19)8-21-14(20)9-4-3-7-17-13(9)16/h1-7H,8H2,(H,18,19)
InChIKeyBBLHLSYCXSPWKG-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.18
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-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498230
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CID 41175485
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374
[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
CID 2435270
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515323
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653462
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867739

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate (CID 2515590) is [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is BBLHLSYCXSPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-10-5-1-2-6-11(10)18-12(19)8-21-14(20)9-4-3-7-17-13(9)16/h1-7H,8H2,(H,18,19).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 325.15 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).