4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine

C12H11FN2S — CID 43300012

IUPAC4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1cccc(F)c1
InChIInChI=1S/C12H11FN2S/c13-10-3-1-2-9(6-10)8-16-12-4-5-15-7-11(12)14/h1-7H,8,14H2
InChIKeyMYHDVQAFISOZII-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.10
Rot. Bonds3

About 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine

4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300012) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43300012
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1cccc(F)c1
InChIInChI=1S/C12H11FN2S/c13-10-3-1-2-9(6-10)8-16-12-4-5-15-7-11(12)14/h1-7H,8,14H2
InChIKeyMYHDVQAFISOZII-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine (CID 43300012) is 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is MYHDVQAFISOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c13-10-3-1-2-9(6-10)8-16-12-4-5-15-7-11(12)14/h1-7H,8,14H2.
What are the key properties of 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine?
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 234.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).