methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate

C10H10Cl2N2O3 — CID 103492919

IUPACmethyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H10Cl2N2O3/c1-17-10(16)7(12)5-14-9(15)8-3-2-6(11)4-13-8/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyVJSHFAHURUXBOY-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate

methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate (PubChem CID 103492919) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
PubChem CID103492919
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Namemethyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H10Cl2N2O3/c1-17-10(16)7(12)5-14-9(15)8-3-2-6(11)4-13-8/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyVJSHFAHURUXBOY-UHFFFAOYSA-N
XLogP1.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-3-[(5-chloropyridine-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

methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
CID 103492499
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
methyl 2-chloro-3-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 103492768
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
methyl 5-chloropyridine-2-carboxylate
CID 11298216
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
methyl 2-chloro-3-[[2-(3,4-dichlorophenyl)acetyl]amino]propanoate
CID 103492991
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate (CID 103492919) is methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1ccc(Cl)cn1.
What is the InChIKey of methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate?
The InChIKey is VJSHFAHURUXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-17-10(16)7(12)5-14-9(15)8-3-2-6(11)4-13-8/h2-4,7H,5H2,1H3,(H,14,15).
What are the key properties of methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate?
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate has a molecular weight of 277.11 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 103492919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).