methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate

C9H10N2O5 — CID 11333606

IUPACmethyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(OC)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-15-8-3-6(4-9(12)16-2)7(5-10-8)11(13)14/h3,5H,4H2,1-2H3
InChIKeyRWFQVUMFQMALEC-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.71
Rot. Bonds4

About methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate

methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate (PubChem CID 11333606) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
PubChem CID11333606
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(OC)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-15-8-3-6(4-9(12)16-2)7(5-10-8)11(13)14/h3,5H,4H2,1-2H3
InChIKeyRWFQVUMFQMALEC-UHFFFAOYSA-N
XLogP0.71
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.71
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

2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
methyl 2-(4-bromo-5-nitro-2-pyridinyl)acetate
CID 133098032
ethyl 3-(2-ethoxy-5-nitro-4-pyridinyl)-2-oxopropanoate
CID 142786631
methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate
CID 133097183
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
methyl 2-[2-(bromomethyl)-4-methoxy-5-nitrophenyl]acetate
CID 171018954
methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134677978
methyl 2-[3-chloro-2-(difluoromethyl)-5-nitro-4-pyridinyl]acetate
CID 134674401
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
methyl 2-(2-nitrophenyl)acetate
CID 520464
methyl 2-[5-(dimethylamino)-2-nitrophenyl]acetate
CID 134129743
methyl 2-[2-(bromomethyl)-4-methyl-5-nitrophenyl]acetate
CID 171019819

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate (CID 11333606) is methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate is COC(=O)Cc1cc(OC)ncc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate?
The InChIKey is RWFQVUMFQMALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-15-8-3-6(4-9(12)16-2)7(5-10-8)11(13)14/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate?
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate has a molecular weight of 226.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate is sourced from PubChem (CID 11333606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).