6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide

C13H11FN4O4 — CID 121167574

IUPAC6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ncn1
InChIInChI=1S/C13H11FN4O4/c1-2-22-12-6-10(15-7-16-12)13(19)17-8-3-4-9(14)11(5-8)18(20)21/h3-7H,2H2,1H3,(H,17,19)
InChIKeyARTXMYWJOWYMLI-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.17
Rot. Bonds5

About 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide

6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide (PubChem CID 121167574) has the molecular formula C13H11FN4O4 and a molecular weight of 306.25 g/mol. Its IUPAC name is 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
PubChem CID121167574
Molecular FormulaC13H11FN4O4
Molecular Weight306.25 g/mol
Exact Mass306.08
IUPAC Name6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ncn1
InChIInChI=1S/C13H11FN4O4/c1-2-22-12-6-10(15-7-16-12)13(19)17-8-3-4-9(14)11(5-8)18(20)21/h3-7H,2H2,1H3,(H,17,19)
InChIKeyARTXMYWJOWYMLI-UHFFFAOYSA-N
XLogP2.17
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.17
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

3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
6-bromo-N-(4-fluoro-3-nitrophenyl)pyridine-2-carboxamide
CID 103874165
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide (CID 121167574) is 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ncn1.
What is the InChIKey of 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide?
The InChIKey is ARTXMYWJOWYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O4/c1-2-22-12-6-10(15-7-16-12)13(19)17-8-3-4-9(14)11(5-8)18(20)21/h3-7H,2H2,1H3,(H,17,19).
What are the key properties of 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide?
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).