6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine

C15H17FN2OS — CID 43262690

IUPAC6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(Sc2ccccc2F)ccc1N
InChIInChI=1S/C15H17FN2OS/c1-10(2)9-19-15-12(17)7-8-14(18-15)20-13-6-4-3-5-11(13)16/h3-8,10H,9,17H2,1-2H3
InChIKeyNYTRTTHDWAVFJG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds5

About 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine

6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 43262690) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID43262690
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(Sc2ccccc2F)ccc1N
InChIInChI=1S/C15H17FN2OS/c1-10(2)9-19-15-12(17)7-8-14(18-15)20-13-6-4-3-5-11(13)16/h3-8,10H,9,17H2,1-2H3
InChIKeyNYTRTTHDWAVFJG-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine (CID 43262690) is 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine is CC(C)COc1nc(Sc2ccccc2F)ccc1N.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is NYTRTTHDWAVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10(2)9-19-15-12(17)7-8-14(18-15)20-13-6-4-3-5-11(13)16/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 292.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 43262690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).