5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine

C8H7BrN4S — CID 107779451

IUPAC5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cnc(Sc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C8H7BrN4S/c9-6-3-5(10)4-13-7(6)14-8-11-1-2-12-8/h1-4H,10H2,(H,11,12)
InChIKeyYYVQOMFLDZSSFU-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine

5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine (PubChem CID 107779451) has the molecular formula C8H7BrN4S and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine
PubChem CID107779451
Molecular FormulaC8H7BrN4S
Molecular Weight271.14 g/mol
Exact Mass269.96
IUPAC Name5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cnc(Sc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C8H7BrN4S/c9-6-3-5(10)4-13-7(6)14-8-11-1-2-12-8/h1-4H,10H2,(H,11,12)
InChIKeyYYVQOMFLDZSSFU-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-propylsulfanylpyridin-3-amine
CID 79534596
4-bromo-5-fluoro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779438
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
CID 107780754
4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
3,5-dichloro-4-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779410
1H-imidazol-2-yl thiohypobromite
CID 87059212
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 79535681
1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
CID 107783616
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
(1S)-1-[3-bromo-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanamine
CID 107780579
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine (CID 107779451) is 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine is Nc1cnc(Sc2ncc[nH]2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine?
The InChIKey is YYVQOMFLDZSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S/c9-6-3-5(10)4-13-7(6)14-8-11-1-2-12-8/h1-4H,10H2,(H,11,12).
What are the key properties of 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine?
5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine has a molecular weight of 271.14 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 107779451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).