6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine

C10H13FN2S — CID 102672913

IUPAC6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine
SMILESCC1SCCC1Nc1ccc(F)nc1
InChIInChI=1S/C10H13FN2S/c1-7-9(4-5-14-7)13-8-2-3-10(11)12-6-8/h2-3,6-7,9,13H,4-5H2,1H3
InChIKeyKXOOPQAPJSTOJS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.53
Rot. Bonds2

About 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine

6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine (PubChem CID 102672913) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine
PubChem CID102672913
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine
SMILESCC1SCCC1Nc1ccc(F)nc1
InChIInChI=1S/C10H13FN2S/c1-7-9(4-5-14-7)13-8-2-3-10(11)12-6-8/h2-3,6-7,9,13H,4-5H2,1H3
InChIKeyKXOOPQAPJSTOJS-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine (CID 102672913) is 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine is CC1SCCC1Nc1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The InChIKey is KXOOPQAPJSTOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-7-9(4-5-14-7)13-8-2-3-10(11)12-6-8/h2-3,6-7,9,13H,4-5H2,1H3.
What are the key properties of 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine?
6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine has a molecular weight of 212.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 102672913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).