1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol

C13H12ClFN2OS — CID 66072271

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol
SMILESNc1ncc(Cl)cc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C13H12ClFN2OS/c14-8-4-11(13(16)17-6-8)12(18)7-19-10-3-1-2-9(15)5-10/h1-6,12,18H,7H2,(H2,16,17)
InChIKeyFSBVBONFKPDSFS-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol

1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol (PubChem CID 66072271) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol
PubChem CID66072271
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol
SMILESNc1ncc(Cl)cc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C13H12ClFN2OS/c14-8-4-11(13(16)17-6-8)12(18)7-19-10-3-1-2-9(15)5-10/h1-6,12,18H,7H2,(H2,16,17)
InChIKeyFSBVBONFKPDSFS-UHFFFAOYSA-N
XLogP3.28
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
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-(3-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol (CID 66072271) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol is Nc1ncc(Cl)cc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol?
The InChIKey is FSBVBONFKPDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c14-8-4-11(13(16)17-6-8)12(18)7-19-10-3-1-2-9(15)5-10/h1-6,12,18H,7H2,(H2,16,17).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol?
1-(2-amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)sulfanylethanol has a molecular weight of 298.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 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-(3-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66072271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).