methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate

C8H8N2O5 — CID 133097183

IUPACmethyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O5/c1-15-8(12)3-6-7(10(13)14)2-5(11)4-9-6/h2,4,11H,3H2,1H3
InChIKeyRUFZJBMCYXRKFA-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.41
Rot. Bonds3

About methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate

methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate (PubChem CID 133097183) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate
PubChem CID133097183
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Namemethyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O5/c1-15-8(12)3-6-7(10(13)14)2-5(11)4-9-6/h2,4,11H,3H2,1H3
InChIKeyRUFZJBMCYXRKFA-UHFFFAOYSA-N
XLogP0.41
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
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

methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
methyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate
CID 22938302
methyl 2-(4-bromo-5-nitro-2-pyridinyl)acetate
CID 133098032
methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134677978
methyl 2-[6-(difluoromethyl)-3-hydroxy-4-nitro-2-pyridinyl]acetate
CID 133103089
methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
CID 131095817
ethyl 2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 121216107
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
methyl 2-[5-hydroxy-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134678454

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate (CID 133097183) is methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate is COC(=O)Cc1ncc(O)cc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate?
The InChIKey is RUFZJBMCYXRKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-15-8(12)3-6-7(10(13)14)2-5(11)4-9-6/h2,4,11H,3H2,1H3.
What are the key properties of methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate?
methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate has a molecular weight of 212.16 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate is sourced from PubChem (CID 133097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).