5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine

C12H9BrCl2N2S — CID 112736273

IUPAC5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H9BrCl2N2S/c1-6-10(16)5-17-12(11(6)13)18-9-3-7(14)2-8(15)4-9/h2-5H,16H2,1H3
InChIKeyFTHHZPYUGWUXRF-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.19
Rot. Bonds2

About 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine

5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine (PubChem CID 112736273) has the molecular formula C12H9BrCl2N2S and a molecular weight of 364.10 g/mol. Its IUPAC name is 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
PubChem CID112736273
Molecular FormulaC12H9BrCl2N2S
Molecular Weight364.10 g/mol
Exact Mass361.90
IUPAC Name5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H9BrCl2N2S/c1-6-10(16)5-17-12(11(6)13)18-9-3-7(14)2-8(15)4-9/h2-5H,16H2,1H3
InChIKeyFTHHZPYUGWUXRF-UHFFFAOYSA-N
XLogP5.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 104507662
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
CID 104507641
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 104507687
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
3-bromo-5-chloro-2-(4-methylphenyl)sulfanylpyridine
CID 114837889
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
3-bromo-5-chloro-2,4-dimethylaniline
CID 84797130
2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
CID 114044329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine (CID 112736273) is 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine is Cc1c(N)cnc(Sc2cc(Cl)cc(Cl)c2)c1Br.
What is the InChIKey of 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The InChIKey is FTHHZPYUGWUXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2S/c1-6-10(16)5-17-12(11(6)13)18-9-3-7(14)2-8(15)4-9/h2-5H,16H2,1H3.
What are the key properties of 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine?
5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine has a molecular weight of 364.10 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine is sourced from PubChem (CID 112736273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).