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

C14H10ClFN2O3 — CID 2520095

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H10ClFN2O3/c15-10-4-5-12(17-7-10)18-13(19)8-21-14(20)9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18,19)
InChIKeyWTKUCGKBXOFCIY-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.67
Rot. Bonds4

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2520095) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID2520095
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H10ClFN2O3/c15-10-4-5-12(17-7-10)18-13(19)8-21-14(20)9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18,19)
InChIKeyWTKUCGKBXOFCIY-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.67
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] 3-fluorobenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate (CID 2520095) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is WTKUCGKBXOFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-10-4-5-12(17-7-10)18-13(19)8-21-14(20)9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 308.70 g/mol, XLogP of 2.67, 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] 3-fluorobenzoate is sourced from PubChem (CID 2520095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).