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

C13H8Br2N2O3 — CID 107602474

IUPAC6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2c(Br)cccc2Br)n1
InChIInChI=1S/C13H8Br2N2O3/c14-7-3-1-4-8(15)11(7)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyFDFVUBAHQAPRED-UHFFFAOYSA-N
MW400.03 g/mol
LogP3.56
Rot. Bonds3

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

6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 107602474) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID107602474
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2c(Br)cccc2Br)n1
InChIInChI=1S/C13H8Br2N2O3/c14-7-3-1-4-8(15)11(7)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyFDFVUBAHQAPRED-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

6-[(2-bromo-6-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602500
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
N-(2,6-dibromophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603480
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
CID 91986542
CID 91986542
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
N-(2-bromo-6-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603499
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-bromobenzoic acid
CID 55176539
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(dimethylaminocarbamoyl)pyridine-2-carboxylic acid
CID 83023717
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 107602474) is 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2c(Br)cccc2Br)n1.
What is the InChIKey of 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FDFVUBAHQAPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-7-3-1-4-8(15)11(7)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-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 6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107602474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).