4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine

C13H12F2N2OS — CID 43299781

IUPAC4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2OS/c14-13(15)18-11-4-2-1-3-9(11)8-19-12-5-6-17-7-10(12)16/h1-7,13H,8,16H2
InChIKeyDTFKNRMWIXGFAI-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.56
Rot. Bonds5

About 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine

4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine (PubChem CID 43299781) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
PubChem CID43299781
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2OS/c14-13(15)18-11-4-2-1-3-9(11)8-19-12-5-6-17-7-10(12)16/h1-7,13H,8,16H2
InChIKeyDTFKNRMWIXGFAI-UHFFFAOYSA-N
XLogP3.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine (CID 43299781) is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1ccccc1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
The InChIKey is DTFKNRMWIXGFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-13(15)18-11-4-2-1-3-9(11)8-19-12-5-6-17-7-10(12)16/h1-7,13H,8,16H2.
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine?
4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine has a molecular weight of 282.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).