2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H8Br2N2O3 — CID 107596791

IUPAC2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-8-4-1-5-9(15)11(8)17-12(18)10-7(13(19)20)3-2-6-16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyHOKDLEJGHIMRIT-UHFFFAOYSA-N
MW400.03 g/mol
LogP3.56
Rot. Bonds3

About 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 107596791) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID107596791
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-8-4-1-5-9(15)11(8)17-12(18)10-7(13(19)20)3-2-6-16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyHOKDLEJGHIMRIT-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-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107517256
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 107596791) is 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is HOKDLEJGHIMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-8-4-1-5-9(15)11(8)17-12(18)10-7(13(19)20)3-2-6-16-10/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-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-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107596791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).