methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate

C10H13N3O4 — CID 62005391

IUPACmethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
SMILESCCN(CC(=O)OC)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C10H13N3O4/c1-3-12(7-10(14)17-2)9-6-8(13(15)16)4-5-11-9/h4-6H,3,7H2,1-2H3
InChIKeyWUMMIHSSZLHNOJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.99
Rot. Bonds5

About methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate

methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate (PubChem CID 62005391) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
PubChem CID62005391
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
SMILESCCN(CC(=O)OC)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C10H13N3O4/c1-3-12(7-10(14)17-2)9-6-8(13(15)16)4-5-11-9/h4-6H,3,7H2,1-2H3
InChIKeyWUMMIHSSZLHNOJ-UHFFFAOYSA-N
XLogP0.99
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
methyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
CID 112649682
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
methyl 2-(4-nitro-N-propylanilino)acetate
CID 62005200
methyl 2-[ethyl-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]acetate
CID 106750113
methyl 2-(2-bromo-4-nitro-N-propylanilino)acetate
CID 62006510
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
methyl 2-(3-cyano-N-ethyl-4-nitroanilino)acetate
CID 115500664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate (CID 62005391) is methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate is CCN(CC(=O)OC)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The InChIKey is WUMMIHSSZLHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-12(7-10(14)17-2)9-6-8(13(15)16)4-5-11-9/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate has a molecular weight of 239.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 62005391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).