[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate

C14H10Cl2N2O3 — CID 1088642

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-4-5-10(16)12(7-9)18-13(19)8-21-14(20)11-3-1-2-6-17-11/h1-7H,8H2,(H,18,19)
InChIKeyVPMCOUSNXWELHA-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.18
Rot. Bonds4

About [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088642) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088642
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-4-5-10(16)12(7-9)18-13(19)8-21-14(20)11-3-1-2-6-17-11/h1-7H,8H2,(H,18,19)
InChIKeyVPMCOUSNXWELHA-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2424890
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 8853119
2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526
Pyridine-2-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 1088735
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2429771
{[(4-Chlorophenyl)methyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 2485125
[2-(3-Chloroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2574917
[1-(3-Chloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2998662
({[(4-Fluorophenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 3,6-dichloropyridine-2-carboxylate
CID 4852748

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088642) is [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is VPMCOUSNXWELHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-4-5-10(16)12(7-9)18-13(19)8-21-14(20)11-3-1-2-6-17-11/h1-7H,8H2,(H,18,19).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 325.15 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).