[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate

C12H10ClF3N2O3 — CID 2560818

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O3/c13-8-3-7(12(14,15)16)4-17-10(8)18-9(19)5-21-11(20)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18,19)
InChIKeyYJNPGFKUBYLUEN-UHFFFAOYSA-N
MW322.67 g/mol
LogP2.65
Rot. Bonds4

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2560818) has the molecular formula C12H10ClF3N2O3 and a molecular weight of 322.67 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2560818
Molecular FormulaC12H10ClF3N2O3
Molecular Weight322.67 g/mol
Exact Mass322.03
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O3/c13-8-3-7(12(14,15)16)4-17-10(8)18-9(19)5-21-11(20)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18,19)
InChIKeyYJNPGFKUBYLUEN-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate (CID 2560818) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is YJNPGFKUBYLUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O3/c13-8-3-7(12(14,15)16)4-17-10(8)18-9(19)5-21-11(20)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18,19).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 322.67 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2560818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).