[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

C13H8Cl3N3O3 — CID 7351803

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H8Cl3N3O3/c14-7-1-4-10(17-5-7)19-11(20)6-22-13(21)12-8(15)2-3-9(16)18-12/h1-5H,6H2,(H,17,19,20)
InChIKeySBVZXKPILVVOIC-UHFFFAOYSA-N
MW360.58 g/mol
LogP3.23
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 7351803) has the molecular formula C13H8Cl3N3O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID7351803
Molecular FormulaC13H8Cl3N3O3
Molecular Weight360.58 g/mol
Exact Mass358.96
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H8Cl3N3O3/c14-7-1-4-10(17-5-7)19-11(20)6-22-13(21)12-8(15)2-3-9(16)18-12/h1-5H,6H2,(H,17,19,20)
InChIKeySBVZXKPILVVOIC-UHFFFAOYSA-N
XLogP3.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CID 7351803) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is SBVZXKPILVVOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O3/c14-7-1-4-10(17-5-7)19-11(20)6-22-13(21)12-8(15)2-3-9(16)18-12/h1-5H,6H2,(H,17,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 360.58 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 7351803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).