2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid

C10H11BrN2O3 — CID 66463637

IUPAC2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(Br)nc1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-7(11)12-5-6/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyPVBLCONPUPZIHU-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.44
Rot. Bonds3

About 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid

2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 66463637) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID66463637
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(Br)nc1)C(=O)O
InChIInChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-7(11)12-5-6/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyPVBLCONPUPZIHU-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
3-[(6-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 66464230
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 66463637) is 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(Br)nc1)C(=O)O.
What is the InChIKey of 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is PVBLCONPUPZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-7(11)12-5-6/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 287.11 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).