3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine

C13H15BrN2S — CID 107754017

IUPAC3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine
SMILESCC(C)C(C)Sc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15BrN2S/c1-8(2)9(3)17-12-4-5-15-11-6-10(14)7-16-13(11)12/h4-9H,1-3H3
InChIKeyVFIOGYNAHLBLAD-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.53
Rot. Bonds3

About 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine

3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine (PubChem CID 107754017) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine
PubChem CID107754017
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine
SMILESCC(C)C(C)Sc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H15BrN2S/c1-8(2)9(3)17-12-4-5-15-11-6-10(14)7-16-13(11)12/h4-9H,1-3H3
InChIKeyVFIOGYNAHLBLAD-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine with MolForge

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Related Compounds

5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754022
2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid
CID 104571211
3-bromo-8-chloro-1,5-naphthyridine
CID 13459137
7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
CID 113394590
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine
CID 102722622
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891854
3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine
CID 107660142
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine (CID 107754017) is 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine is CC(C)C(C)Sc1ccnc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine?
The InChIKey is VFIOGYNAHLBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8(2)9(3)17-12-4-5-15-11-6-10(14)7-16-13(11)12/h4-9H,1-3H3.
What are the key properties of 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine?
3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine has a molecular weight of 311.25 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(3-methylbutan-2-ylsulfanyl)-1,5-naphthyridine is sourced from PubChem (CID 107754017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).