3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine

C13H14BrN3S — CID 66145426

IUPAC3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
SMILESNc1ncccc1C(N)CSc1ccccc1Br
InChIInChI=1S/C13H14BrN3S/c14-10-5-1-2-6-12(10)18-8-11(15)9-4-3-7-17-13(9)16/h1-7,11H,8,15H2,(H2,16,17)
InChIKeyAHPXHZWTBMRMLY-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.22
Rot. Bonds4

About 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine

3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine (PubChem CID 66145426) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
PubChem CID66145426
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
SMILESNc1ncccc1C(N)CSc1ccccc1Br
InChIInChI=1S/C13H14BrN3S/c14-10-5-1-2-6-12(10)18-8-11(15)9-4-3-7-17-13(9)16/h1-7,11H,8,15H2,(H2,16,17)
InChIKeyAHPXHZWTBMRMLY-UHFFFAOYSA-N
XLogP3.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine?
The IUPAC name of 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine (CID 66145426) is 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine?
The canonical SMILES for 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine is Nc1ncccc1C(N)CSc1ccccc1Br.
What is the InChIKey of 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine?
The InChIKey is AHPXHZWTBMRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c14-10-5-1-2-6-12(10)18-8-11(15)9-4-3-7-17-13(9)16/h1-7,11H,8,15H2,(H2,16,17).
What are the key properties of 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine?
3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine has a molecular weight of 324.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine is sourced from PubChem (CID 66145426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).