3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol

C10H13ClN2OS — CID 79949810

IUPAC3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol
SMILESCC1CC(O)(c2cc(Cl)cnc2N)CS1
InChIInChI=1S/C10H13ClN2OS/c1-6-3-10(14,5-15-6)8-2-7(11)4-13-9(8)12/h2,4,6,14H,3,5H2,1H3,(H2,12,13)
InChIKeyUHXZYEAIGKJWAL-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.03
Rot. Bonds1

About 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol

3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol (PubChem CID 79949810) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol
PubChem CID79949810
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol
SMILESCC1CC(O)(c2cc(Cl)cnc2N)CS1
InChIInChI=1S/C10H13ClN2OS/c1-6-3-10(14,5-15-6)8-2-7(11)4-13-9(8)12/h2,4,6,14H,3,5H2,1H3,(H2,12,13)
InChIKeyUHXZYEAIGKJWAL-UHFFFAOYSA-N
XLogP2.03
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol?
The IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol (CID 79949810) is 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol.
What is the SMILES notation for 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol?
The canonical SMILES for 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol is CC1CC(O)(c2cc(Cl)cnc2N)CS1.
What is the InChIKey of 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol?
The InChIKey is UHXZYEAIGKJWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6-3-10(14,5-15-6)8-2-7(11)4-13-9(8)12/h2,4,6,14H,3,5H2,1H3,(H2,12,13).
What are the key properties of 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol?
3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol has a molecular weight of 244.75 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol is sourced from PubChem (CID 79949810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).