5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine

C12H10BrClN2S — CID 104507662

IUPAC5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cccc(Cl)c2)c1Br
InChIInChI=1S/C12H10BrClN2S/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3
InChIKeyDLJOUDIBLKQBHQ-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.54
Rot. Bonds2

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

5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine (PubChem CID 104507662) has the molecular formula C12H10BrClN2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
PubChem CID104507662
Molecular FormulaC12H10BrClN2S
Molecular Weight329.65 g/mol
Exact Mass327.94
IUPAC Name5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Sc2cccc(Cl)c2)c1Br
InChIInChI=1S/C12H10BrClN2S/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3
InChIKeyDLJOUDIBLKQBHQ-UHFFFAOYSA-N
XLogP4.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 112736273
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
CID 63868684
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80639728
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
CID 79734548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine (CID 104507662) is 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine is Cc1c(N)cnc(Sc2cccc(Cl)c2)c1Br.
What is the InChIKey of 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine?
The InChIKey is DLJOUDIBLKQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2S/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3.
What are the key properties of 5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine?
5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine has a molecular weight of 329.65 g/mol, XLogP of 4.54, 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-chlorophenyl)sulfanyl-4-methylpyridin-3-amine is sourced from PubChem (CID 104507662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).