2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine

C11H8BrClN2S — CID 115474601

IUPAC2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1ccccc1Br
InChIInChI=1S/C11H8BrClN2S/c12-7-3-1-2-4-9(7)16-11-8(14)5-6-10(13)15-11/h1-6H,14H2
InChIKeyDEQQVSXWDPJZQY-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.23
Rot. Bonds2

About 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine

2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine (PubChem CID 115474601) has the molecular formula C11H8BrClN2S and a molecular weight of 315.62 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine
PubChem CID115474601
Molecular FormulaC11H8BrClN2S
Molecular Weight315.62 g/mol
Exact Mass313.93
IUPAC Name2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1ccccc1Br
InChIInChI=1S/C11H8BrClN2S/c12-7-3-1-2-4-9(7)16-11-8(14)5-6-10(13)15-11/h1-6H,14H2
InChIKeyDEQQVSXWDPJZQY-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine (CID 115474601) is 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine?
The InChIKey is DEQQVSXWDPJZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2S/c12-7-3-1-2-4-9(7)16-11-8(14)5-6-10(13)15-11/h1-6H,14H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine?
2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine has a molecular weight of 315.62 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine is sourced from PubChem (CID 115474601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).