methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate

C10H9F3N2O6 — CID 134677978

IUPACmethyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc([N+](=O)[O-])c(OC(F)(F)F)c1OC
InChIInChI=1S/C10H9F3N2O6/c1-19-7(16)3-5-8(20-2)9(21-10(11,12)13)6(4-14-5)15(17)18/h4H,3H2,1-2H3
InChIKeyGUZHWYIFSYUKAU-UHFFFAOYSA-N
MW310.18 g/mol
LogP1.61
Rot. Bonds5

About methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134677978) has the molecular formula C10H9F3N2O6 and a molecular weight of 310.18 g/mol. Its IUPAC name is methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134677978
Molecular FormulaC10H9F3N2O6
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Namemethyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc([N+](=O)[O-])c(OC(F)(F)F)c1OC
InChIInChI=1S/C10H9F3N2O6/c1-19-7(16)3-5-8(20-2)9(21-10(11,12)13)6(4-14-5)15(17)18/h4H,3H2,1-2H3
InChIKeyGUZHWYIFSYUKAU-UHFFFAOYSA-N
XLogP1.61
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(chloromethyl)-3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine
CID 118826839
methyl 2-[5-hydroxy-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134678454
methyl 2-[5-methoxy-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668265
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
methyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677069
methyl 2-[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134682906
3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134670336
methyl 2-[4-amino-5-(aminomethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086377
methyl 2-[6-fluoro-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680834
methyl 2-[6-iodo-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665848
methyl 2-(5-hydroxy-3-nitro-2-pyridinyl)acetate
CID 133097183
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134677978) is methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1ncc([N+](=O)[O-])c(OC(F)(F)F)c1OC.
What is the InChIKey of methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is GUZHWYIFSYUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O6/c1-19-7(16)3-5-8(20-2)9(21-10(11,12)13)6(4-14-5)15(17)18/h4H,3H2,1-2H3.
What are the key properties of methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 310.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134677978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).