3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine

C15H10BrClN2S — CID 103289300

IUPAC3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine
SMILESClc1ccccc1CSc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H10BrClN2S/c16-11-7-13-15(19-8-11)14(5-6-18-13)20-9-10-3-1-2-4-12(10)17/h1-8H,9H2
InChIKeyVKUJNOLTPRMPPZ-UHFFFAOYSA-N
MW365.68 g/mol
LogP5.34
Rot. Bonds3

About 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine

3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine (PubChem CID 103289300) has the molecular formula C15H10BrClN2S and a molecular weight of 365.68 g/mol. Its IUPAC name is 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine
PubChem CID103289300
Molecular FormulaC15H10BrClN2S
Molecular Weight365.68 g/mol
Exact Mass363.94
IUPAC Name3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine
SMILESClc1ccccc1CSc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H10BrClN2S/c16-11-7-13-15(19-8-11)14(5-6-18-13)20-9-10-3-1-2-4-12(10)17/h1-8H,9H2
InChIKeyVKUJNOLTPRMPPZ-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.68
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine with MolForge

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

Launch Full Analysis

Related Compounds

US10370333, Example VI-1
CID 89768430
4-Bromo-8-(4-chlorophenyl)-1,5-naphthyridine
CID 134970090
8-Bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine
CID 154608555
2-[(4-Chlorobenzyl)sulfanyl]quinoxaline
CID 5160586
3-Bromo-8-(2-fluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279229
3-Bromo-8-(4-fluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279233
3-Bromo-8-(3,4-difluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279248
3-Bromo-8-(2,4-difluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279249
3-Bromo-8-(2,5-difluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279253
3-Bromo-8-(3-fluorophenyl)sulfanyl-1,5-naphthyridine
CID 104279293
4-(4-Bromophenyl)sulfanyl-7-chloroquinoline
CID 2573783
2-[(2-Chlorobenzyl)sulfanyl]quinoxaline
CID 3821435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine (CID 103289300) is 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine is Clc1ccccc1CSc1ccnc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine?
The InChIKey is VKUJNOLTPRMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2S/c16-11-7-13-15(19-8-11)14(5-6-18-13)20-9-10-3-1-2-4-12(10)17/h1-8H,9H2.
What are the key properties of 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine?
3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine has a molecular weight of 365.68 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(2-chlorophenyl)methylsulfanyl]-1,5-naphthyridine is sourced from PubChem (CID 103289300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).