methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate

C15H13FN2O5 — CID 123644382

IUPACmethyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)C(c1ccccc1F)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O5/c1-22-12-8-7-11(18(20)21)14(17-12)13(15(19)23-2)9-5-3-4-6-10(9)16/h3-8,13H,1-2H3
InChIKeySKBBGSGUJGEWHM-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate

methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate (PubChem CID 123644382) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
PubChem CID123644382
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)C(c1ccccc1F)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O5/c1-22-12-8-7-11(18(20)21)14(17-12)13(15(19)23-2)9-5-3-4-6-10(9)16/h3-8,13H,1-2H3
InChIKeySKBBGSGUJGEWHM-UHFFFAOYSA-N
XLogP2.44
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate (CID 123644382) is methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate is COC(=O)C(c1ccccc1F)c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The InChIKey is SKBBGSGUJGEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5/c1-22-12-8-7-11(18(20)21)14(17-12)13(15(19)23-2)9-5-3-4-6-10(9)16/h3-8,13H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate has a molecular weight of 320.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(6-methoxy-3-nitro-2-pyridinyl)acetate is sourced from PubChem (CID 123644382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).