2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine

C12H10F2N2S — CID 105403862

IUPAC2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2S/c13-9-4-8(5-10(14)6-9)7-17-12-11(15)2-1-3-16-12/h1-6H,7,15H2
InChIKeyALSPJHNNFWUSNG-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.23
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine

2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 105403862) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID105403862
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N2S/c13-9-4-8(5-10(14)6-9)7-17-12-11(15)2-1-3-16-12/h1-6H,7,15H2
InChIKeyALSPJHNNFWUSNG-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine (CID 105403862) is 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is ALSPJHNNFWUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-9-4-8(5-10(14)6-9)7-17-12-11(15)2-1-3-16-12/h1-6H,7,15H2.
What are the key properties of 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine?
2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 252.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 105403862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).