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

C8H8N2O4 — CID 51341867

IUPACmethyl 2-(5-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H8N2O4/c1-14-8(11)4-6-2-3-7(5-9-6)10(12)13/h2-3,5H,4H2,1H3
InChIKeyHWAYALCUMDVEIK-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.71
Rot. Bonds3

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

methyl 2-(5-nitro-2-pyridinyl)acetate (PubChem CID 51341867) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is methyl 2-(5-nitro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-nitro-2-pyridinyl)acetate
PubChem CID51341867
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namemethyl 2-(5-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H8N2O4/c1-14-8(11)4-6-2-3-7(5-9-6)10(12)13/h2-3,5H,4H2,1H3
InChIKeyHWAYALCUMDVEIK-UHFFFAOYSA-N
XLogP0.71
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Dimethyl 2-(3-nitropyridin-2-yl)malonate
CID 2782199
Ethyl difluoro(pyridin-2-yl)acetate
CID 10631894
Dimethyl 2-allyl-2-(5-nitro-2-pyridinyl)malonate
CID 3798415
Butyl 2-(pyridin-2-yl)acetate
CID 14936493
Nsc74475
CID 135543845
Dimethyl 2-methyl-2-(5-nitro-2-pyridinyl)malonate
CID 3810882
Ethyl (2E)-(hydroxyimino)(pyridin-2-yl)acetate
CID 135460309
Ethyl 2-(3-nitropyridin-4-yl)acetate
CID 12407500
Ethyl 2-(3-aminopyridin-2-yl)acetate
CID 15475339
Ethyl 2-(5-aminopyridin-2-yl)acetate
CID 21876034

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-nitro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-nitro-2-pyridinyl)acetate (CID 51341867) is methyl 2-(5-nitro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-nitro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-nitro-2-pyridinyl)acetate is COC(=O)Cc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of methyl 2-(5-nitro-2-pyridinyl)acetate?
The InChIKey is HWAYALCUMDVEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-8(11)4-6-2-3-7(5-9-6)10(12)13/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-(5-nitro-2-pyridinyl)acetate?
methyl 2-(5-nitro-2-pyridinyl)acetate has a molecular weight of 196.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-nitro-2-pyridinyl)acetate is sourced from PubChem (CID 51341867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).