6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine

C12H11FN2S — CID 70998665

IUPAC6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1cc(Sc2ccc(F)cc2)ncc1N
InChIInChI=1S/C12H11FN2S/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3
InChIKeyUTXHRWKWSHUCGZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.26
Rot. Bonds2

About 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine

6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine (PubChem CID 70998665) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine
PubChem CID70998665
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1cc(Sc2ccc(F)cc2)ncc1N
InChIInChI=1S/C12H11FN2S/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3
InChIKeyUTXHRWKWSHUCGZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine (CID 70998665) is 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine is Cc1cc(Sc2ccc(F)cc2)ncc1N.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine?
The InChIKey is UTXHRWKWSHUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3.
What are the key properties of 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine?
6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine has a molecular weight of 234.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-4-methylpyridin-3-amine is sourced from PubChem (CID 70998665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).