(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane

C6H6Cl2N2OS — CID 167723258

IUPAC(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2OS/c1-12(9,11)4-2-5(7)6(8)10-3-4/h2-3,9H,1H3
InChIKeyNKISZCPBAPCQRL-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.42
Rot. Bonds1

About (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane

(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 167723258) has the molecular formula C6H6Cl2N2OS and a molecular weight of 225.10 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID167723258
Molecular FormulaC6H6Cl2N2OS
Molecular Weight225.10 g/mol
Exact Mass223.96
IUPAC Name(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2OS/c1-12(9,11)4-2-5(7)6(8)10-3-4/h2-3,9H,1H3
InChIKeyNKISZCPBAPCQRL-UHFFFAOYSA-N
XLogP2.42
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(2,4,6-triiodophenyl)pyridine-3-sulfonamide
CID 64607451
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane (CID 167723258) is (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is NKISZCPBAPCQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2OS/c1-12(9,11)4-2-5(7)6(8)10-3-4/h2-3,9H,1H3.
What are the key properties of (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 225.10 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 167723258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).