[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H12F2N2O5 — CID 2419201

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O5/c16-15(17)24-10-5-3-9(4-6-10)19-12(20)8-23-14(22)11-2-1-7-18-13(11)21/h1-7,15H,8H2,(H,18,21)(H,19,20)
InChIKeyIBLFDCLZRPJVJZ-UHFFFAOYSA-N
MW338.27 g/mol
LogP1.77
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2419201) has the molecular formula C15H12F2N2O5 and a molecular weight of 338.27 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2419201
Molecular FormulaC15H12F2N2O5
Molecular Weight338.27 g/mol
Exact Mass338.07
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O5/c16-15(17)24-10-5-3-9(4-6-10)19-12(20)8-23-14(22)11-2-1-7-18-13(11)21/h1-7,15H,8H2,(H,18,21)(H,19,20)
InChIKeyIBLFDCLZRPJVJZ-UHFFFAOYSA-N
XLogP1.77
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2379470
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2373487
[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2411097
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786352
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534537
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5166441
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2397872
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786666
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344680
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2419201) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IBLFDCLZRPJVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5/c16-15(17)24-10-5-3-9(4-6-10)19-12(20)8-23-14(22)11-2-1-7-18-13(11)21/h1-7,15H,8H2,(H,18,21)(H,19,20).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 338.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2419201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).