2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid

C7H6BrN3O3 — CID 130609530

IUPAC2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)NNc1cncc(Br)c1
InChIInChI=1S/C7H6BrN3O3/c8-4-1-5(3-9-2-4)10-11-6(12)7(13)14/h1-3,10H,(H,11,12)(H,13,14)
InChIKeyYBYFHXQGCMXEIT-UHFFFAOYSA-N
MW260.05 g/mol
LogP0.37
Rot. Bonds2

About 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid

2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid (PubChem CID 130609530) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid
PubChem CID130609530
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC Name2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)NNc1cncc(Br)c1
InChIInChI=1S/C7H6BrN3O3/c8-4-1-5(3-9-2-4)10-11-6(12)7(13)14/h1-3,10H,(H,11,12)(H,13,14)
InChIKeyYBYFHXQGCMXEIT-UHFFFAOYSA-N
XLogP0.37
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
CID 130492216
[4-[(5-bromo-3-pyridinyl)amino]-4-oxobutyl]-methylcarbamic acid
CID 174224336
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide
CID 130164423
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
5-bromopyridin-3-ol
CID 599529
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid (CID 130609530) is 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid is O=C(O)C(=O)NNc1cncc(Br)c1.
What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid?
The InChIKey is YBYFHXQGCMXEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c8-4-1-5(3-9-2-4)10-11-6(12)7(13)14/h1-3,10H,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid?
2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid has a molecular weight of 260.05 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid is sourced from PubChem (CID 130609530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).