methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate

C14H11FN2O5 — CID 170375226

IUPACmethyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)n(-c2c(F)cccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C14H11FN2O5/c1-8-6-7-9(14(19)22-2)13(18)16(8)12-10(15)4-3-5-11(12)17(20)21/h3-7H,1-2H3
InChIKeyPRAOZDATICDYJC-UHFFFAOYSA-N
MW306.25 g/mol
LogP1.98
Rot. Bonds3

About methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate

methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate (PubChem CID 170375226) has the molecular formula C14H11FN2O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate
PubChem CID170375226
Molecular FormulaC14H11FN2O5
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Namemethyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)n(-c2c(F)cccc2[N+](=O)[O-])c1=O
InChIInChI=1S/C14H11FN2O5/c1-8-6-7-9(14(19)22-2)13(18)16(8)12-10(15)4-3-5-11(12)17(20)21/h3-7H,1-2H3
InChIKeyPRAOZDATICDYJC-UHFFFAOYSA-N
XLogP1.98
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 51.98
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 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate (CID 170375226) is methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate is COC(=O)c1ccc(C)n(-c2c(F)cccc2[N+](=O)[O-])c1=O.
What is the InChIKey of methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is PRAOZDATICDYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5/c1-8-6-7-9(14(19)22-2)13(18)16(8)12-10(15)4-3-5-11(12)17(20)21/h3-7H,1-2H3.
What are the key properties of methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate?
methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 306.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-6-nitrophenyl)-6-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 170375226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).