(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane

C7H8ClFN2OS — CID 172898682

IUPAC(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Cl)cnc1F
InChIInChI=1S/C7H8ClFN2OS/c1-13(2,12)11-6-3-5(8)4-10-7(6)9/h3-4H,1-2H3
InChIKeyIBAQYTJABSGWCP-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.23
Rot. Bonds1

About (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane

(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane (PubChem CID 172898682) has the molecular formula C7H8ClFN2OS and a molecular weight of 222.67 g/mol. Its IUPAC name is (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
PubChem CID172898682
Molecular FormulaC7H8ClFN2OS
Molecular Weight222.67 g/mol
Exact Mass222.00
IUPAC Name(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Cl)cnc1F
InChIInChI=1S/C7H8ClFN2OS/c1-13(2,12)11-6-3-5(8)4-10-7(6)9/h3-4H,1-2H3
InChIKeyIBAQYTJABSGWCP-UHFFFAOYSA-N
XLogP2.23
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-chloropyridine
CID 79305
5-Amino-2,3-dichloropyridine
CID 14595219
3-Amino-5-chloropyridine
CID 818257
3-Amino-2,5-dichloropyridine
CID 2799999
2-Chloro-3-isothiocyanatopyridine
CID 12868088
2-Chloro-5-fluoropyridin-3-amine
CID 44754868
2-Chloro-5-isocyanatopyridine
CID 4961273
2-Chloro-5-isothiocyanatopyridine
CID 18770580
5-Chloro-2-fluoropyridin-3-amine
CID 20042888
1-(5-Chloropyridin-3-yl)-4-methylpiperazine
CID 22478583
5-Chloro-2-iodopyridin-3-amine
CID 53485481
5-Chloro-6-methylpyridin-3-amine
CID 55265269

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane (CID 172898682) is (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1cc(Cl)cnc1F.
What is the InChIKey of (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is IBAQYTJABSGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2OS/c1-13(2,12)11-6-3-5(8)4-10-7(6)9/h3-4H,1-2H3.
What are the key properties of (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane?
(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 222.67 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 172898682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).