3-fluoro-5-nitrothiophene-2-carboxamide

C5H3FN2O3S — CID 118978131

IUPAC3-fluoro-5-nitrothiophene-2-carboxamide
SMILESNC(=O)c1sc([N+](=O)[O-])cc1F
InChIInChI=1S/C5H3FN2O3S/c6-2-1-3(8(10)11)12-4(2)5(7)9/h1H,(H2,7,9)
InChIKeyBWYYCJJTPDDZQK-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.89
Rot. Bonds2

About 3-fluoro-5-nitrothiophene-2-carboxamide

3-fluoro-5-nitrothiophene-2-carboxamide (PubChem CID 118978131) has the molecular formula C5H3FN2O3S and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-fluoro-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-nitrothiophene-2-carboxamide
PubChem CID118978131
Molecular FormulaC5H3FN2O3S
Molecular Weight190.15 g/mol
Exact Mass189.98
IUPAC Name3-fluoro-5-nitrothiophene-2-carboxamide
SMILESNC(=O)c1sc([N+](=O)[O-])cc1F
InChIInChI=1S/C5H3FN2O3S/c6-2-1-3(8(10)11)12-4(2)5(7)9/h1H,(H2,7,9)
InChIKeyBWYYCJJTPDDZQK-UHFFFAOYSA-N
XLogP0.89
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-Acetyl-5-nitrothiophene
CID 38293
5-Nitrothiophene-2-carboxaldehyde
CID 78281
N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
CID 2726411
5-Methyl-4-nitrothiophene-2-carboxamide
CID 770001
5-Nitrothiophene-2-carboxamide
CID 314710
5-Nitrothiophene-2-carbohydrazide
CID 5748629
2-Propionyl-5-nitrothiophene
CID 12813870
5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 7535364
5-Amino-3-fluorothiophene-2-carboxamide
CID 118978125
5-Nitrothiophene-2-carbonyl fluoride
CID 156497912
(5-Nitrothiophen-2-yl)(oxo)acetyl fluoride
CID 45080962
5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81340300

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitrothiophene-2-carboxamide?
The IUPAC name of 3-fluoro-5-nitrothiophene-2-carboxamide (CID 118978131) is 3-fluoro-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-5-nitrothiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-5-nitrothiophene-2-carboxamide is NC(=O)c1sc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-fluoro-5-nitrothiophene-2-carboxamide?
The InChIKey is BWYYCJJTPDDZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3S/c6-2-1-3(8(10)11)12-4(2)5(7)9/h1H,(H2,7,9).
What are the key properties of 3-fluoro-5-nitrothiophene-2-carboxamide?
3-fluoro-5-nitrothiophene-2-carboxamide has a molecular weight of 190.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 118978131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).