6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide

C13H11BrN2OS — CID 107283847

IUPAC6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1ccc(Br)cc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C13H11BrN2OS/c1-8-5-6-9(14)7-11(8)17-12-4-2-3-10(16-12)13(15)18/h2-7H,1H3,(H2,15,18)
InChIKeyYFAIABOVGWGPNS-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.58
Rot. Bonds3

About 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide

6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide (PubChem CID 107283847) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide
PubChem CID107283847
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1ccc(Br)cc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C13H11BrN2OS/c1-8-5-6-9(14)7-11(8)17-12-4-2-3-10(16-12)13(15)18/h2-7H,1H3,(H2,15,18)
InChIKeyYFAIABOVGWGPNS-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
CID 64594328
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
CID 64595504
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313
O-(5-bromo-2-methylphenyl) carbamothioate
CID 154518622
6-(4-bromo-2-methylanilino)pyridine-2-carbothioamide
CID 64588029
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
2-(5-bromo-2-chlorophenoxy)pyrimidine-4-carbothioamide
CID 107548649

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide (CID 107283847) is 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide is Cc1ccc(Br)cc1Oc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide?
The InChIKey is YFAIABOVGWGPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-8-5-6-9(14)7-11(8)17-12-4-2-3-10(16-12)13(15)18/h2-7H,1H3,(H2,15,18).
What are the key properties of 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide?
6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide has a molecular weight of 323.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 107283847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).