5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid

C10H6N4O4S — CID 81438978

IUPAC5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Sc2cnccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6N4O4S/c15-10(16)6-3-7(14(17)18)9(13-4-6)19-8-5-11-1-2-12-8/h1-5H,(H,15,16)
InChIKeyNMSUTPRPZYLMBY-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.63
Rot. Bonds4

About 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid

5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid (PubChem CID 81438978) has the molecular formula C10H6N4O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid
PubChem CID81438978
Molecular FormulaC10H6N4O4S
Molecular Weight278.25 g/mol
Exact Mass278.01
IUPAC Name5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Sc2cnccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6N4O4S/c15-10(16)6-3-7(14(17)18)9(13-4-6)19-8-5-11-1-2-12-8/h1-5H,(H,15,16)
InChIKeyNMSUTPRPZYLMBY-UHFFFAOYSA-N
XLogP1.63
TPSA119.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid (CID 81438978) is 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid is O=C(O)c1cnc(Sc2cnccn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid?
The InChIKey is NMSUTPRPZYLMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4S/c15-10(16)6-3-7(14(17)18)9(13-4-6)19-8-5-11-1-2-12-8/h1-5H,(H,15,16).
What are the key properties of 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid?
5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid has a molecular weight of 278.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81438978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).