5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid

C14H11BrN2O4 — CID 79789743

IUPAC5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESO=C(COc1ccc(C(=O)O)nc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O4/c15-9-2-1-3-10(6-9)17-13(18)8-21-11-4-5-12(14(19)20)16-7-11/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyVFQSMSWENITIAK-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.56
Rot. Bonds5

About 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid

5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 79789743) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID79789743
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESO=C(COc1ccc(C(=O)O)nc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O4/c15-9-2-1-3-10(6-9)17-13(18)8-21-11-4-5-12(14(19)20)16-7-11/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyVFQSMSWENITIAK-UHFFFAOYSA-N
XLogP2.56
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789742
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
CID 78933587
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
CID 103756161
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
[2-(3-bromoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 4803885
N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178145
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 79789743) is 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid is O=C(COc1ccc(C(=O)O)nc1)Nc1cccc(Br)c1.
What is the InChIKey of 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is VFQSMSWENITIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-9-2-1-3-10(6-9)17-13(18)8-21-11-4-5-12(14(19)20)16-7-11/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid?
5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 351.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79789743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).