[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate

C13H10ClN3O3 — CID 7866524

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-12-9(5-3-7-16-12)17-11(18)8-20-13(19)10-4-1-2-6-15-10/h1-7H,8H2,(H,17,18)
InChIKeySGLWDFAQKGAIHD-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.93
Rot. Bonds4

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7866524) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7866524
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-12-9(5-3-7-16-12)17-11(18)8-20-13(19)10-4-1-2-6-15-10/h1-7H,8H2,(H,17,18)
InChIKeySGLWDFAQKGAIHD-UHFFFAOYSA-N
XLogP1.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.93
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-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate (CID 7866524) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cccnc1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is SGLWDFAQKGAIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-12-9(5-3-7-16-12)17-11(18)8-20-13(19)10-4-1-2-6-15-10/h1-7H,8H2,(H,17,18).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).