[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

C14H9Cl2FN2O3 — CID 2434348

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN2O3/c15-11-5-8(6-18-13(11)16)14(21)22-7-12(20)19-10-3-1-9(17)2-4-10/h1-6H,7H2,(H,19,20)
InChIKeyBXHVRMYBYNGCNS-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.32
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (PubChem CID 2434348) has the molecular formula C14H9Cl2FN2O3 and a molecular weight of 343.14 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
PubChem CID2434348
Molecular FormulaC14H9Cl2FN2O3
Molecular Weight343.14 g/mol
Exact Mass342.00
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN2O3/c15-11-5-8(6-18-13(11)16)14(21)22-7-12(20)19-10-3-1-9(17)2-4-10/h1-6H,7H2,(H,19,20)
InChIKeyBXHVRMYBYNGCNS-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-[4-(dimethylamino)anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2092523
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2099993
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2373927
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021525
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231039
[2-(2,5-dimethylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021790
[2-(2,4-dibromoanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2355123
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2425256
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021597

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate (CID 2434348) is [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
The InChIKey is BXHVRMYBYNGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O3/c15-11-5-8(6-18-13(11)16)14(21)22-7-12(20)19-10-3-1-9(17)2-4-10/h1-6H,7H2,(H,19,20).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-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-(4-fluoroanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 2434348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).