[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

C11H11ClN2O3 — CID 5214168

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H11ClN2O3/c12-8-3-4-9(13-5-8)14-10(15)6-17-11(16)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15)
InChIKeyLOQISOVXVZXBQW-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.63
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 5214168) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID5214168
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H11ClN2O3/c12-8-3-4-9(13-5-8)14-10(15)6-17-11(16)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15)
InChIKeyLOQISOVXVZXBQW-UHFFFAOYSA-N
XLogP1.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 5214168) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is LOQISOVXVZXBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-8-3-4-9(13-5-8)14-10(15)6-17-11(16)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 254.67 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 5214168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).