6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine

C12H15ClF2N2S — CID 139300082

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine
SMILESCSc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2S/c1-18-9-6-10(13)17-11(7-9)16-8-2-4-12(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyUSHLFQSUABZQOA-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine

6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine (PubChem CID 139300082) has the molecular formula C12H15ClF2N2S and a molecular weight of 292.78 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine
PubChem CID139300082
Molecular FormulaC12H15ClF2N2S
Molecular Weight292.78 g/mol
Exact Mass292.06
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine
SMILESCSc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2S/c1-18-9-6-10(13)17-11(7-9)16-8-2-4-12(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyUSHLFQSUABZQOA-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.45
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 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine (CID 139300082) is 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine is CSc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine?
The InChIKey is USHLFQSUABZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2S/c1-18-9-6-10(13)17-11(7-9)16-8-2-4-12(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine has a molecular weight of 292.78 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 139300082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).