6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide

C16H11BrN2OS — CID 64594328

IUPAC6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H11BrN2OS/c17-12-6-4-11-9-13(7-5-10(11)8-12)20-15-3-1-2-14(19-15)16(18)21/h1-9H,(H2,18,21)
InChIKeyGQYDRBPHMIXEOV-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.42
Rot. Bonds3

About 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide

6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide (PubChem CID 64594328) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
PubChem CID64594328
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H11BrN2OS/c17-12-6-4-11-9-13(7-5-10(11)8-12)20-15-3-1-2-14(19-15)16(18)21/h1-9H,(H2,18,21)
InChIKeyGQYDRBPHMIXEOV-UHFFFAOYSA-N
XLogP4.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide?
The IUPAC name of 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide (CID 64594328) is 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide.
What is the SMILES notation for 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide?
The canonical SMILES for 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide is NC(=S)c1cccc(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide?
The InChIKey is GQYDRBPHMIXEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-12-6-4-11-9-13(7-5-10(11)8-12)20-15-3-1-2-14(19-15)16(18)21/h1-9H,(H2,18,21).
What are the key properties of 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide?
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide has a molecular weight of 359.25 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide is sourced from PubChem (CID 64594328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).