3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid

C13H7Br3N2O3 — CID 63111791

IUPAC3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C13H7Br3N2O3/c14-6-1-2-10(17-5-6)12(19)18-11-8(13(20)21)3-7(15)4-9(11)16/h1-5H,(H,18,19)(H,20,21)
InChIKeySCOLBUGALPHUCE-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.32
Rot. Bonds3

About 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid

3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 63111791) has the molecular formula C13H7Br3N2O3 and a molecular weight of 478.92 g/mol. Its IUPAC name is 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
PubChem CID63111791
Molecular FormulaC13H7Br3N2O3
Molecular Weight478.92 g/mol
Exact Mass475.80
IUPAC Name3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C13H7Br3N2O3/c14-6-1-2-10(17-5-6)12(19)18-11-8(13(20)21)3-7(15)4-9(11)16/h1-5H,(H,18,19)(H,20,21)
InChIKeySCOLBUGALPHUCE-UHFFFAOYSA-N
XLogP4.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63111801
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid
CID 63111958
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
3-[(5-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262373
3,5-dibromo-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 63111891

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid (CID 63111791) is 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is SCOLBUGALPHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3N2O3/c14-6-1-2-10(17-5-6)12(19)18-11-8(13(20)21)3-7(15)4-9(11)16/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 478.92 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63111791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).