5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine

C14H12BrN3S — CID 104507692

IUPAC5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cc3ccccc3[nH]2)c1Br
InChIInChI=1S/C14H12BrN3S/c1-8-10(16)7-17-14(13(8)15)19-12-6-9-4-2-3-5-11(9)18-12/h2-7,18H,16H2,1H3
InChIKeyZNXPJCRHWRBNFA-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.37
Rot. Bonds2

About 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine

5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine (PubChem CID 104507692) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
PubChem CID104507692
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cc3ccccc3[nH]2)c1Br
InChIInChI=1S/C14H12BrN3S/c1-8-10(16)7-17-14(13(8)15)19-12-6-9-4-2-3-5-11(9)18-12/h2-7,18H,16H2,1H3
InChIKeyZNXPJCRHWRBNFA-UHFFFAOYSA-N
XLogP4.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 104507662
5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 112736273
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine (CID 104507692) is 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine is Cc1c(N)cnc(Sc2cc3ccccc3[nH]2)c1Br.
What is the InChIKey of 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine?
The InChIKey is ZNXPJCRHWRBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-10(16)7-17-14(13(8)15)19-12-6-9-4-2-3-5-11(9)18-12/h2-7,18H,16H2,1H3.
What are the key properties of 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine?
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine has a molecular weight of 334.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 104507692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).