1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol

C9H10ClF3N2OS — CID 104643466

IUPAC1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol
SMILESNCC(O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2OS/c10-7-1-5(9(11,12)13)3-15-8(7)17-4-6(16)2-14/h1,3,6,16H,2,4,14H2
InChIKeyDAALVOIPAFNVKQ-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.17
Rot. Bonds4

About 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol

1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol (PubChem CID 104643466) has the molecular formula C9H10ClF3N2OS and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol
PubChem CID104643466
Molecular FormulaC9H10ClF3N2OS
Molecular Weight286.71 g/mol
Exact Mass286.02
IUPAC Name1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol
SMILESNCC(O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2OS/c10-7-1-5(9(11,12)13)3-15-8(7)17-4-6(16)2-14/h1,3,6,16H,2,4,14H2
InChIKeyDAALVOIPAFNVKQ-UHFFFAOYSA-N
XLogP2.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol?
The IUPAC name of 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol (CID 104643466) is 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol is NCC(O)CSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol?
The InChIKey is DAALVOIPAFNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2OS/c10-7-1-5(9(11,12)13)3-15-8(7)17-4-6(16)2-14/h1,3,6,16H,2,4,14H2.
What are the key properties of 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol?
1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol has a molecular weight of 286.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol is sourced from PubChem (CID 104643466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).