1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone

C9H11ClN2OS — CID 65131200

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H11ClN2OS/c1-2-14-5-8(13)7-3-6(10)4-12-9(7)11/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyZDEZJKUBJRFERV-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone

1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone (PubChem CID 65131200) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
PubChem CID65131200
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H11ClN2OS/c1-2-14-5-8(13)7-3-6(10)4-12-9(7)11/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyZDEZJKUBJRFERV-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone (CID 65131200) is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone is CCSCC(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone?
The InChIKey is ZDEZJKUBJRFERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-2-14-5-8(13)7-3-6(10)4-12-9(7)11/h3-4H,2,5H2,1H3,(H2,11,12).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone has a molecular weight of 230.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone is sourced from PubChem (CID 65131200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).