3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine

C6H5ClF2N2S — CID 126714722

IUPAC3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine
SMILESCSc1c(F)c(F)nc(N)c1Cl
InChIInChI=1S/C6H5ClF2N2S/c1-12-4-2(7)6(10)11-5(9)3(4)8/h1H3,(H2,10,11)
InChIKeyQDBJIOYVDAMDMD-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.32
Rot. Bonds1

About 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine

3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine (PubChem CID 126714722) has the molecular formula C6H5ClF2N2S and a molecular weight of 210.64 g/mol. Its IUPAC name is 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine
PubChem CID126714722
Molecular FormulaC6H5ClF2N2S
Molecular Weight210.64 g/mol
Exact Mass209.98
IUPAC Name3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine
SMILESCSc1c(F)c(F)nc(N)c1Cl
InChIInChI=1S/C6H5ClF2N2S/c1-12-4-2(7)6(10)11-5(9)3(4)8/h1H3,(H2,10,11)
InChIKeyQDBJIOYVDAMDMD-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine (CID 126714722) is 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine is CSc1c(F)c(F)nc(N)c1Cl.
What is the InChIKey of 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine?
The InChIKey is QDBJIOYVDAMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2S/c1-12-4-2(7)6(10)11-5(9)3(4)8/h1H3,(H2,10,11).
What are the key properties of 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine?
3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine has a molecular weight of 210.64 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-difluoro-4-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 126714722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).