6-pyridin-3-yloxypyridine-2-carbothioamide

C11H9N3OS — CID 64594143

IUPAC6-pyridin-3-yloxypyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2cccnc2)n1
InChIInChI=1S/C11H9N3OS/c12-11(16)9-4-1-5-10(14-9)15-8-3-2-6-13-7-8/h1-7H,(H2,12,16)
InChIKeyUJNVRMZNAUAAHO-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.90
Rot. Bonds3

About 6-pyridin-3-yloxypyridine-2-carbothioamide

6-pyridin-3-yloxypyridine-2-carbothioamide (PubChem CID 64594143) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-pyridin-3-yloxypyridine-2-carbothioamide.

Molecular Properties

Compound Name6-pyridin-3-yloxypyridine-2-carbothioamide
PubChem CID64594143
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name6-pyridin-3-yloxypyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2cccnc2)n1
InChIInChI=1S/C11H9N3OS/c12-11(16)9-4-1-5-10(14-9)15-8-3-2-6-13-7-8/h1-7H,(H2,12,16)
InChIKeyUJNVRMZNAUAAHO-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-3-yloxypyridine-2-carbothioamide?
The IUPAC name of 6-pyridin-3-yloxypyridine-2-carbothioamide (CID 64594143) is 6-pyridin-3-yloxypyridine-2-carbothioamide.
What is the SMILES notation for 6-pyridin-3-yloxypyridine-2-carbothioamide?
The canonical SMILES for 6-pyridin-3-yloxypyridine-2-carbothioamide is NC(=S)c1cccc(Oc2cccnc2)n1.
What is the InChIKey of 6-pyridin-3-yloxypyridine-2-carbothioamide?
The InChIKey is UJNVRMZNAUAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11(16)9-4-1-5-10(14-9)15-8-3-2-6-13-7-8/h1-7H,(H2,12,16).
What are the key properties of 6-pyridin-3-yloxypyridine-2-carbothioamide?
6-pyridin-3-yloxypyridine-2-carbothioamide has a molecular weight of 231.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yloxypyridine-2-carbothioamide is sourced from PubChem (CID 64594143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).