[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate

C14H11BrN2O3 — CID 2714936

IUPAC[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18)
InChIKeyKFYLSAPGFDDIDF-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.64
Rot. Bonds4

About [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2714936) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2714936
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18)
InChIKeyKFYLSAPGFDDIDF-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-(3-bromoanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2467619
[2-(3-bromoanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413271
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
[2-(3-bromoanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571699

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 2714936) is [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cccc(Br)c1.
What is the InChIKey of [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is KFYLSAPGFDDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18).
What are the key properties of [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 335.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2714936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).