1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol

C13H13BrN2OS — CID 66144443

IUPAC1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
SMILESNc1ncccc1C(O)CSc1ccccc1Br
InChIInChI=1S/C13H13BrN2OS/c14-10-5-1-2-6-12(10)18-8-11(17)9-4-3-7-16-13(9)15/h1-7,11,17H,8H2,(H2,15,16)
InChIKeyLONWEJZTVZACLM-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol

1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol (PubChem CID 66144443) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
PubChem CID66144443
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
SMILESNc1ncccc1C(O)CSc1ccccc1Br
InChIInChI=1S/C13H13BrN2OS/c14-10-5-1-2-6-12(10)18-8-11(17)9-4-3-7-16-13(9)15/h1-7,11,17H,8H2,(H2,15,16)
InChIKeyLONWEJZTVZACLM-UHFFFAOYSA-N
XLogP3.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
CID 66145426
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
2-(2-bromophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738041
2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229156
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
CID 81210035
3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
CID 105238112

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol (CID 66144443) is 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol is Nc1ncccc1C(O)CSc1ccccc1Br.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol?
The InChIKey is LONWEJZTVZACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-10-5-1-2-6-12(10)18-8-11(17)9-4-3-7-16-13(9)15/h1-7,11,17H,8H2,(H2,15,16).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol?
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol has a molecular weight of 325.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol is sourced from PubChem (CID 66144443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).