5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine

C10H13BrN2OS — CID 106494015

IUPAC5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnc(SCC2CCCO2)c(Br)c1
InChIInChI=1S/C10H13BrN2OS/c11-9-4-7(12)5-13-10(9)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6,12H2
InChIKeyIQTBSUSITHWLDT-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.70
Rot. Bonds3

About 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine

5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 106494015) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
PubChem CID106494015
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnc(SCC2CCCO2)c(Br)c1
InChIInChI=1S/C10H13BrN2OS/c11-9-4-7(12)5-13-10(9)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6,12H2
InChIKeyIQTBSUSITHWLDT-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
5-bromo-6-propylsulfanylpyridin-3-amine
CID 79534596
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
3-methyl-5-(oxolan-2-ylmethylsulfanyl)aniline
CID 106493960
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine (CID 106494015) is 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine is Nc1cnc(SCC2CCCO2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is IQTBSUSITHWLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-9-4-7(12)5-13-10(9)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6,12H2.
What are the key properties of 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine?
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 289.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 106494015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).