methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate

C10H10ClN3O5 — CID 114046355

IUPACmethyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H10ClN3O5/c1-13(5-8(15)19-2)10(16)7-3-6(14(17)18)4-12-9(7)11/h3-4H,5H2,1-2H3
InChIKeyURLCNKDJZRTRRD-UHFFFAOYSA-N
MW287.66 g/mol
LogP0.89
Rot. Bonds4

About methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate

methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate (PubChem CID 114046355) has the molecular formula C10H10ClN3O5 and a molecular weight of 287.66 g/mol. Its IUPAC name is methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
PubChem CID114046355
Molecular FormulaC10H10ClN3O5
Molecular Weight287.66 g/mol
Exact Mass287.03
IUPAC Namemethyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H10ClN3O5/c1-13(5-8(15)19-2)10(16)7-3-6(14(17)18)4-12-9(7)11/h3-4H,5H2,1-2H3
InChIKeyURLCNKDJZRTRRD-UHFFFAOYSA-N
XLogP0.89
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate 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 4-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]butanoate
CID 103803627
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103803623
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803106
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate (CID 114046355) is methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate?
The InChIKey is URLCNKDJZRTRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O5/c1-13(5-8(15)19-2)10(16)7-3-6(14(17)18)4-12-9(7)11/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate?
methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate has a molecular weight of 287.66 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate is sourced from PubChem (CID 114046355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).