1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine

C13H14BrN3S — CID 80643952

IUPAC1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc(Br)cn2)nc1
InChIInChI=1S/C13H14BrN3S/c1-9(15)6-10-2-4-12(16-7-10)18-13-5-3-11(14)8-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyHRROYLJFBUTSQL-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine

1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine (PubChem CID 80643952) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
PubChem CID80643952
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc(Br)cn2)nc1
InChIInChI=1S/C13H14BrN3S/c1-9(15)6-10-2-4-12(16-7-10)18-13-5-3-11(14)8-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyHRROYLJFBUTSQL-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-[(6-phenylsulfanyl-3-pyridinyl)methyl]pyridine
CID 137652926
5-Bromo-2-(phenylsulfanyl)pyridine
CID 22180667
5-Bromo-2-(tert-butylsulfanyl)pyridine
CID 61375299
5-Bromo-4-methyl-2-(methylthio)pyridine
CID 58200491
2-(Pyridin-3-ylmethylsulfanyl)pyridine
CID 267442
2-[(4-Bromophenyl)sulfanylmethyl]-3-methylpyridine;hydrochloride
CID 13058717
2-[(4-Bromophenyl)methylsulfanyl]pyridine;hydrochloride
CID 13058731
2-[(4-Bromophenyl)sulfanyl]pyridine
CID 13058732
3-[(Pyridin-2-ylsulfanyl)methyl]aniline
CID 28402293
2,6-Bis(methylsulfanyl)-4-pyridin-3-ylpyridine
CID 14202030
2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine
CID 134995314
2-(3-Bromo-benzylsulfanyl)-isonicotinonitrile
CID 477444

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine (CID 80643952) is 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(Sc2ccc(Br)cn2)nc1.
What is the InChIKey of 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The InChIKey is HRROYLJFBUTSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-9(15)6-10-2-4-12(16-7-10)18-13-5-3-11(14)8-17-13/h2-5,7-9H,6,15H2,1H3.
What are the key properties of 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80643952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).