methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate

C10H10BrFN2O3 — CID 103492499

IUPACmethyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Br)CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H10BrFN2O3/c1-17-10(16)7(11)5-14-9(15)8-3-2-6(12)4-13-8/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyDKIRDCHUMSLARS-UHFFFAOYSA-N
MW305.10 g/mol
LogP0.89
Rot. Bonds4

About methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate

methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate (PubChem CID 103492499) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
PubChem CID103492499
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Namemethyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Br)CNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H10BrFN2O3/c1-17-10(16)7(11)5-14-9(15)8-3-2-6(12)4-13-8/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyDKIRDCHUMSLARS-UHFFFAOYSA-N
XLogP0.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate 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

N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
CID 103492919
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
methyl 2-bromo-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 103492691
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
methyl 2-bromo-3-[(2-chloro-3-fluorobenzoyl)amino]propanoate
CID 103492546
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate (CID 103492499) is methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate is COC(=O)C(Br)CNC(=O)c1ccc(F)cn1.
What is the InChIKey of methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate?
The InChIKey is DKIRDCHUMSLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c1-17-10(16)7(11)5-14-9(15)8-3-2-6(12)4-13-8/h2-4,7H,5H2,1H3,(H,14,15).
What are the key properties of methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate?
methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate has a molecular weight of 305.10 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 103492499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).