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

C10H12BrFN2S — CID 130906061

IUPAC5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine
SMILESCC1SCCC1Nc1ncc(Br)cc1F
InChIInChI=1S/C10H12BrFN2S/c1-6-9(2-3-15-6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeySKZBKADKONVFSF-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.29
Rot. Bonds2

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

5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine (PubChem CID 130906061) has the molecular formula C10H12BrFN2S and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine
PubChem CID130906061
Molecular FormulaC10H12BrFN2S
Molecular Weight291.19 g/mol
Exact Mass289.99
IUPAC Name5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine
SMILESCC1SCCC1Nc1ncc(Br)cc1F
InChIInChI=1S/C10H12BrFN2S/c1-6-9(2-3-15-6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeySKZBKADKONVFSF-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine (CID 130906061) is 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine is CC1SCCC1Nc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine?
The InChIKey is SKZBKADKONVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2S/c1-6-9(2-3-15-6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine?
5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine has a molecular weight of 291.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(2-methylthiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130906061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).