1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol

C13H12BrClN2OS — CID 66056077

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
SMILESNc1ncc(Cl)cc1C(O)CSc1ccc(Br)cc1
InChIInChI=1S/C13H12BrClN2OS/c14-8-1-3-10(4-2-8)19-7-12(18)11-5-9(15)6-17-13(11)16/h1-6,12,18H,7H2,(H2,16,17)
InChIKeyIXFFFGRUVGVIGF-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol

1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol (PubChem CID 66056077) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
PubChem CID66056077
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
SMILESNc1ncc(Cl)cc1C(O)CSc1ccc(Br)cc1
InChIInChI=1S/C13H12BrClN2OS/c14-8-1-3-10(4-2-8)19-7-12(18)11-5-9(15)6-17-13(11)16/h1-6,12,18H,7H2,(H2,16,17)
InChIKeyIXFFFGRUVGVIGF-UHFFFAOYSA-N
XLogP3.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
1-(2-amino-5-chloro-3-pyridinyl)but-3-en-1-ol
CID 116659950
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66065811
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
CID 81447194
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol (CID 66056077) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol is Nc1ncc(Cl)cc1C(O)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol?
The InChIKey is IXFFFGRUVGVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c14-8-1-3-10(4-2-8)19-7-12(18)11-5-9(15)6-17-13(11)16/h1-6,12,18H,7H2,(H2,16,17).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol?
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol has a molecular weight of 359.68 g/mol, XLogP of 3.91, 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-(4-bromophenyl)sulfanylethanol is sourced from PubChem (CID 66056077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).