3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid

C10H11BrN2O3 — CID 82820933

IUPAC3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCC(C)(C(=O)O)C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)8(14)13-7-6(11)4-3-5-12-7/h3-5H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFIGCPIMXVGIRBX-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.89
Rot. Bonds3

About 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid

3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82820933) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82820933
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCC(C)(C(=O)O)C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)8(14)13-7-6(11)4-3-5-12-7/h3-5H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFIGCPIMXVGIRBX-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811031
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
4-[(3-bromo-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 77071914
N-(3-bromo-2-pyridinyl)but-2-ynamide
CID 107987937
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 61375232
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978891
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82820933) is 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid is CC(C)(C(=O)O)C(=O)Nc1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is FIGCPIMXVGIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-10(2,9(15)16)8(14)13-7-6(11)4-3-5-12-7/h3-5H,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 287.11 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82820933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).