[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate

C14H9Cl2FN2O3 — CID 71823348

IUPAC[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccnc(Cl)c1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H9Cl2FN2O3/c15-10-2-1-9(17)6-11(10)19-13(20)7-22-14(21)8-3-4-18-12(16)5-8/h1-6H,7H2,(H,19,20)
InChIKeyBUOYGJFJBGHYDR-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.32
Rot. Bonds4

About [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate (PubChem CID 71823348) has the molecular formula C14H9Cl2FN2O3 and a molecular weight of 343.14 g/mol. Its IUPAC name is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
PubChem CID71823348
Molecular FormulaC14H9Cl2FN2O3
Molecular Weight343.14 g/mol
Exact Mass342.00
IUPAC Name[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccnc(Cl)c1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H9Cl2FN2O3/c15-10-2-1-9(17)6-11(10)19-13(20)7-22-14(21)8-3-4-18-12(16)5-8/h1-6H,7H2,(H,19,20)
InChIKeyBUOYGJFJBGHYDR-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

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 71823347
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23971506
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23831358
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 24524517
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
CID 24524541
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
CID 23802638
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536241
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538331

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate?
The IUPAC name of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate (CID 71823348) is [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate.
What is the SMILES notation for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate?
The canonical SMILES for [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate is O=C(COC(=O)c1ccnc(Cl)c1)Nc1cc(F)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate?
The InChIKey is BUOYGJFJBGHYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O3/c15-10-2-1-9(17)6-11(10)19-13(20)7-22-14(21)8-3-4-18-12(16)5-8/h1-6H,7H2,(H,19,20).
What are the key properties of [2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate?
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-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-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate is sourced from PubChem (CID 71823348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).