6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine

C12H9ClF2N2S — CID 114073788

IUPAC6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)cc2)c(F)cc1F
InChIInChI=1S/C12H9ClF2N2S/c1-16-11-9(14)6-10(15)12(17-11)18-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17)
InChIKeyFAHUHPSCKHKJCS-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.21
Rot. Bonds3

About 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine

6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine (PubChem CID 114073788) has the molecular formula C12H9ClF2N2S and a molecular weight of 286.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
PubChem CID114073788
Molecular FormulaC12H9ClF2N2S
Molecular Weight286.73 g/mol
Exact Mass286.01
IUPAC Name6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)cc2)c(F)cc1F
InChIInChI=1S/C12H9ClF2N2S/c1-16-11-9(14)6-10(15)12(17-11)18-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17)
InChIKeyFAHUHPSCKHKJCS-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-6-(2-fluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 114073809
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
[6-(2,5-dichlorophenyl)sulfanyl-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073884
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
3,5-dichloro-N-methyl-6-(4-nitrophenyl)sulfanylpyridin-2-amine
CID 102761369
5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
CID 79733940
4-chloro-6-(4-chlorophenyl)sulfanyl-2,5-dimethylpyrimidine
CID 63728722
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
CID 114073941
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine (CID 114073788) is 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine is CNc1nc(Sc2ccc(Cl)cc2)c(F)cc1F.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine?
The InChIKey is FAHUHPSCKHKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2S/c1-16-11-9(14)6-10(15)12(17-11)18-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine?
6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine has a molecular weight of 286.73 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-3,5-difluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 114073788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).