2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid

C13H8Br2N2O3 — CID 114368080

IUPAC2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H8Br2N2O3/c14-8-1-2-10(15)9(6-8)12(18)17-11-5-7(13(19)20)3-4-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyFRGQGLLYIDEUQT-UHFFFAOYSA-N
MW400.03 g/mol
LogP3.56
Rot. Bonds3

About 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid

2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 114368080) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID114368080
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H8Br2N2O3/c14-8-1-2-10(15)9(6-8)12(18)17-11-5-7(13(19)20)3-4-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyFRGQGLLYIDEUQT-UHFFFAOYSA-N
XLogP3.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.03
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
CID 136903643
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
2-[(6-bromonaphthalen-2-yl)amino]pyridine-4-carboxylic acid
CID 81266781
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
CID 79802588
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
CID 84610177

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid (CID 114368080) is 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is FRGQGLLYIDEUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-8-1-2-10(15)9(6-8)12(18)17-11-5-7(13(19)20)3-4-16-11/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid?
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid has a molecular weight of 400.03 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114368080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).