2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

C8H8ClF3N2S — CID 4962394

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNCCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2S/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13/h3-4H,1-2,13H2
InChIKeyUCWYEENFIWMFAZ-UHFFFAOYSA-N
MW256.68 g/mol
LogP2.80
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (PubChem CID 4962394) has the molecular formula C8H8ClF3N2S and a molecular weight of 256.68 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
PubChem CID4962394
Molecular FormulaC8H8ClF3N2S
Molecular Weight256.68 g/mol
Exact Mass256.00
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNCCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2S/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13/h3-4H,1-2,13H2
InChIKeyUCWYEENFIWMFAZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (CID 4962394) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is NCCSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The InChIKey is UCWYEENFIWMFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2S/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13/h3-4H,1-2,13H2.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine has a molecular weight of 256.68 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is sourced from PubChem (CID 4962394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).