3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine

C10H13FN2S — CID 127017123

IUPAC3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine
SMILESCC1CC(Nc2ncccc2F)CS1
InChIInChI=1S/C10H13FN2S/c1-7-5-8(6-14-7)13-10-9(11)3-2-4-12-10/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKeyDUCIKVSQRUVHLD-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.53
Rot. Bonds2

About 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine

3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine (PubChem CID 127017123) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine
PubChem CID127017123
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine
SMILESCC1CC(Nc2ncccc2F)CS1
InChIInChI=1S/C10H13FN2S/c1-7-5-8(6-14-7)13-10-9(11)3-2-4-12-10/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKeyDUCIKVSQRUVHLD-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine (CID 127017123) is 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine is CC1CC(Nc2ncccc2F)CS1.
What is the InChIKey of 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine?
The InChIKey is DUCIKVSQRUVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-7-5-8(6-14-7)13-10-9(11)3-2-4-12-10/h2-4,7-8H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine?
3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-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 3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 127017123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).