5-chloro-2-methyl-3-nitrososulfanylpyridine

C6H5ClN2OS — CID 89387191

IUPAC5-chloro-2-methyl-3-nitrososulfanylpyridine
SMILESCc1ncc(Cl)cc1SN=O
InChIInChI=1S/C6H5ClN2OS/c1-4-6(11-9-10)2-5(7)3-8-4/h2-3H,1H3
InChIKeyOMFQOCYGYRLCDV-UHFFFAOYSA-N
MW188.64 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-2-methyl-3-nitrososulfanylpyridine

5-chloro-2-methyl-3-nitrososulfanylpyridine (PubChem CID 89387191) has the molecular formula C6H5ClN2OS and a molecular weight of 188.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-nitrososulfanylpyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-3-nitrososulfanylpyridine
PubChem CID89387191
Molecular FormulaC6H5ClN2OS
Molecular Weight188.64 g/mol
Exact Mass187.98
IUPAC Name5-chloro-2-methyl-3-nitrososulfanylpyridine
SMILESCc1ncc(Cl)cc1SN=O
InChIInChI=1S/C6H5ClN2OS/c1-4-6(11-9-10)2-5(7)3-8-4/h2-3H,1H3
InChIKeyOMFQOCYGYRLCDV-UHFFFAOYSA-N
XLogP2.82
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.64
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-nitrososulfanylpyridine?
The IUPAC name of 5-chloro-2-methyl-3-nitrososulfanylpyridine (CID 89387191) is 5-chloro-2-methyl-3-nitrososulfanylpyridine.
What is the SMILES notation for 5-chloro-2-methyl-3-nitrososulfanylpyridine?
The canonical SMILES for 5-chloro-2-methyl-3-nitrososulfanylpyridine is Cc1ncc(Cl)cc1SN=O.
What is the InChIKey of 5-chloro-2-methyl-3-nitrososulfanylpyridine?
The InChIKey is OMFQOCYGYRLCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2OS/c1-4-6(11-9-10)2-5(7)3-8-4/h2-3H,1H3.
What are the key properties of 5-chloro-2-methyl-3-nitrososulfanylpyridine?
5-chloro-2-methyl-3-nitrososulfanylpyridine has a molecular weight of 188.64 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-nitrososulfanylpyridine is sourced from PubChem (CID 89387191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).