5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine

C11H8BrClN2S — CID 87286110

IUPAC5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine
SMILESNc1cc(Cl)ncc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H8BrClN2S/c12-7-1-3-8(4-2-7)16-10-6-15-11(13)5-9(10)14/h1-6H,(H2,14,15)
InChIKeyONMGFYVDNHNFDZ-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.23
Rot. Bonds2

About 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine

5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine (PubChem CID 87286110) has the molecular formula C11H8BrClN2S and a molecular weight of 315.62 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine
PubChem CID87286110
Molecular FormulaC11H8BrClN2S
Molecular Weight315.62 g/mol
Exact Mass313.93
IUPAC Name5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine
SMILESNc1cc(Cl)ncc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H8BrClN2S/c12-7-1-3-8(4-2-7)16-10-6-15-11(13)5-9(10)14/h1-6H,(H2,14,15)
InChIKeyONMGFYVDNHNFDZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine?
The IUPAC name of 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine (CID 87286110) is 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine is Nc1cc(Cl)ncc1Sc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine?
The InChIKey is ONMGFYVDNHNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2S/c12-7-1-3-8(4-2-7)16-10-6-15-11(13)5-9(10)14/h1-6H,(H2,14,15).
What are the key properties of 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine?
5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-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 5-(4-bromophenyl)sulfanyl-2-chloropyridin-4-amine is sourced from PubChem (CID 87286110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).