5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine

C14H11FN2S — CID 130329519

IUPAC5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine
SMILESC#Cc1cnc(C)c(NSc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2S/c1-3-11-8-14(10(2)16-9-11)17-18-13-6-4-12(15)5-7-13/h1,4-9,17H,2H3
InChIKeyBUEYVBHHQFCDII-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.63
Rot. Bonds3

About 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine

5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine (PubChem CID 130329519) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine.

Molecular Properties

Compound Name5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine
PubChem CID130329519
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine
SMILESC#Cc1cnc(C)c(NSc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2S/c1-3-11-8-14(10(2)16-9-11)17-18-13-6-4-12(15)5-7-13/h1,4-9,17H,2H3
InChIKeyBUEYVBHHQFCDII-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine?
The IUPAC name of 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine (CID 130329519) is 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine.
What is the SMILES notation for 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine?
The canonical SMILES for 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine is C#Cc1cnc(C)c(NSc2ccc(F)cc2)c1.
What is the InChIKey of 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine?
The InChIKey is BUEYVBHHQFCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-3-11-8-14(10(2)16-9-11)17-18-13-6-4-12(15)5-7-13/h1,4-9,17H,2H3.
What are the key properties of 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine?
5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine is sourced from PubChem (CID 130329519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).