5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide

C9H7BrN4OS — CID 130420699

IUPAC5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide
SMILESO=S(Nc1cnccn1)c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4OS/c10-7-1-2-9(13-5-7)16(15)14-8-6-11-3-4-12-8/h1-6H,(H,12,14)
InChIKeyRPUGPDQVPRBKAB-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.77
Rot. Bonds3

About 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide

5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide (PubChem CID 130420699) has the molecular formula C9H7BrN4OS and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide.

Molecular Properties

Compound Name5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide
PubChem CID130420699
Molecular FormulaC9H7BrN4OS
Molecular Weight299.15 g/mol
Exact Mass297.95
IUPAC Name5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide
SMILESO=S(Nc1cnccn1)c1ccc(Br)cn1
InChIInChI=1S/C9H7BrN4OS/c10-7-1-2-9(13-5-7)16(15)14-8-6-11-3-4-12-8/h1-6H,(H,12,14)
InChIKeyRPUGPDQVPRBKAB-UHFFFAOYSA-N
XLogP1.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
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1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
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2-pyrazin-2-ylsulfinylpyrazine
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CID 149012639
1-(3-bromophenyl)-3-pyrazin-2-ylurea
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3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide?
The IUPAC name of 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide (CID 130420699) is 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide.
What is the SMILES notation for 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide?
The canonical SMILES for 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide is O=S(Nc1cnccn1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide?
The InChIKey is RPUGPDQVPRBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4OS/c10-7-1-2-9(13-5-7)16(15)14-8-6-11-3-4-12-8/h1-6H,(H,12,14).
What are the key properties of 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide?
5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide has a molecular weight of 299.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyrazin-2-ylpyridine-2-sulfinamide is sourced from PubChem (CID 130420699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).