[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate

C14H10Cl2N2O4 — CID 2375578

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-5-11(16)13(17-6-9)18-12(20)7-22-14(21)8-1-3-10(19)4-2-8/h1-6,19H,7H2,(H,17,18,20)
InChIKeyYRRGUOZZPQIRQK-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.89
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2375578) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2375578
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-5-11(16)13(17-6-9)18-12(20)7-22-14(21)8-1-3-10(19)4-2-8/h1-6,19H,7H2,(H,17,18,20)
InChIKeyYRRGUOZZPQIRQK-UHFFFAOYSA-N
XLogP2.89
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate (CID 2375578) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is YRRGUOZZPQIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-5-11(16)13(17-6-9)18-12(20)7-22-14(21)8-1-3-10(19)4-2-8/h1-6,19H,7H2,(H,17,18,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 341.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2375578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).