[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate

C15H10Cl2N2O5 — CID 2435270

IUPAC[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)COC(=O)c1cccnc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-12-10(3-1-5-18-12)14(21)23-7-9(20)8-24-15(22)11-4-2-6-19-13(11)17/h1-6H,7-8H2
InChIKeyUHVYKLMEPYGLRT-UHFFFAOYSA-N
MW369.16 g/mol
LogP2.37
Rot. Bonds6

About [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate

[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate (PubChem CID 2435270) has the molecular formula C15H10Cl2N2O5 and a molecular weight of 369.16 g/mol. Its IUPAC name is [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
PubChem CID2435270
Molecular FormulaC15H10Cl2N2O5
Molecular Weight369.16 g/mol
Exact Mass368.00
IUPAC Name[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)COC(=O)c1cccnc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-12-10(3-1-5-18-12)14(21)23-7-9(20)8-24-15(22)11-4-2-6-19-13(11)17/h1-6H,7-8H2
InChIKeyUHVYKLMEPYGLRT-UHFFFAOYSA-N
XLogP2.37
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867502
butyl 2-chloropyridine-3-carboxylate
CID 11310412
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515323
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
but-3-ynyl 2-chloropyridine-3-carboxylate
CID 176902893
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867425
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
4-methylpentyl 2-chloropyridine-3-carboxylate
CID 63841332
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013765

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate (CID 2435270) is [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)COC(=O)c1cccnc1Cl.
What is the InChIKey of [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate?
The InChIKey is UHVYKLMEPYGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O5/c16-12-10(3-1-5-18-12)14(21)23-7-9(20)8-24-15(22)11-4-2-6-19-13(11)17/h1-6H,7-8H2.
What are the key properties of [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate?
[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate has a molecular weight of 369.16 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2435270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).