[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

C14H9Cl2FN2O3 — CID 2485228

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O3/c15-8-5-6-11(16)19-13(8)14(21)22-7-12(20)18-10-4-2-1-3-9(10)17/h1-6H,7H2,(H,18,20)
InChIKeyBYXDCHHMSCRFPA-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.32
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 2485228) has the molecular formula C14H9Cl2FN2O3 and a molecular weight of 343.14 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID2485228
Molecular FormulaC14H9Cl2FN2O3
Molecular Weight343.14 g/mol
Exact Mass342.00
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O3/c15-8-5-6-11(16)19-13(8)14(21)22-7-12(20)18-10-4-2-1-3-9(10)17/h1-6H,7H2,(H,18,20)
InChIKeyBYXDCHHMSCRFPA-UHFFFAOYSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Clopyralid-methyl
CID 526485
2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
[(3-Methoxyphenyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 2339719
{[(4-Chlorophenyl)methyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 2485125
({[(4-Fluorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 4852748
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 9120355
[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 17547928
({[(2-Chlorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 24856171
[2-(Benzylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 4855153
{[4-Chloro-3-(dimethylsulfamoyl)phenyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 4536858
[(1-Phenylethyl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
CID 4658528
2-(2,5-Dichlorophenylamino)-2-oxoethyl picolinate
CID 1088642

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CID 2485228) is [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is BYXDCHHMSCRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O3/c15-8-5-6-11(16)19-13(8)14(21)22-7-12(20)18-10-4-2-1-3-9(10)17/h1-6H,7H2,(H,18,20).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 343.14 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 2485228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).