6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine

C9H6FN3O2S — CID 142402226

IUPAC6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccc(F)s2)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O2S/c10-8-4-3-7(16-8)5-1-2-6(13(14)15)9(11)12-5/h1-4H,(H2,11,12)
InChIKeyANVJFXWIKZZHHI-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.44
Rot. Bonds2

About 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine

6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine (PubChem CID 142402226) has the molecular formula C9H6FN3O2S and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine
PubChem CID142402226
Molecular FormulaC9H6FN3O2S
Molecular Weight239.23 g/mol
Exact Mass239.02
IUPAC Name6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccc(F)s2)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O2S/c10-8-4-3-7(16-8)5-1-2-6(13(14)15)9(11)12-5/h1-4H,(H2,11,12)
InChIKeyANVJFXWIKZZHHI-UHFFFAOYSA-N
XLogP2.44
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine (CID 142402226) is 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine is Nc1nc(-c2ccc(F)s2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine?
The InChIKey is ANVJFXWIKZZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2S/c10-8-4-3-7(16-8)5-1-2-6(13(14)15)9(11)12-5/h1-4H,(H2,11,12).
What are the key properties of 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine?
6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine has a molecular weight of 239.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluorothiophen-2-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 142402226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).