2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine

C9H5ClN4O2S — CID 63380617

IUPAC2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Sc1cnccn1
InChIInChI=1S/C9H5ClN4O2S/c10-7-2-1-6(14(15)16)9(13-7)17-8-5-11-3-4-12-8/h1-5H
InChIKeySFOZCVXJZFWVOH-UHFFFAOYSA-N
MW268.69 g/mol
LogP2.58
Rot. Bonds3

About 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine

2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine (PubChem CID 63380617) has the molecular formula C9H5ClN4O2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine
PubChem CID63380617
Molecular FormulaC9H5ClN4O2S
Molecular Weight268.69 g/mol
Exact Mass267.98
IUPAC Name2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Sc1cnccn1
InChIInChI=1S/C9H5ClN4O2S/c10-7-2-1-6(14(15)16)9(13-7)17-8-5-11-3-4-12-8/h1-5H
InChIKeySFOZCVXJZFWVOH-UHFFFAOYSA-N
XLogP2.58
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid
CID 81438978
6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
CID 43260475
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 43260489
6-chloro-2-(3-methylbutan-2-ylsulfanyl)-3-nitropyridine
CID 107751113
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883600
2-benzylsulfanyl-6-chloro-3-nitropyridine
CID 43260471
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770921
6-chloro-2-iodo-3-nitropyridine
CID 130882718
6-chloro-2-(cyclopentylmethylsulfanyl)-3-nitropyridine
CID 55177345
1-(4-nitro-5-pyrazin-2-ylsulfanylthiophen-2-yl)ethanone
CID 112623231
6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
CID 23568379

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine?
The IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine (CID 63380617) is 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine.
What is the SMILES notation for 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine?
The canonical SMILES for 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine is O=[N+]([O-])c1ccc(Cl)nc1Sc1cnccn1.
What is the InChIKey of 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine?
The InChIKey is SFOZCVXJZFWVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O2S/c10-7-2-1-6(14(15)16)9(13-7)17-8-5-11-3-4-12-8/h1-5H.
What are the key properties of 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine?
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine has a molecular weight of 268.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine is sourced from PubChem (CID 63380617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).