6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide

C11H8ClN3OS — CID 64600208

IUPAC6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(Oc2cncc(Cl)c2)nc1
InChIInChI=1S/C11H8ClN3OS/c12-8-3-9(6-14-5-8)16-10-2-1-7(4-15-10)11(13)17/h1-6H,(H2,13,17)
InChIKeyNQRFWAMBVNPZBT-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.56
Rot. Bonds3

About 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide

6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide (PubChem CID 64600208) has the molecular formula C11H8ClN3OS and a molecular weight of 265.73 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
PubChem CID64600208
Molecular FormulaC11H8ClN3OS
Molecular Weight265.73 g/mol
Exact Mass265.01
IUPAC Name6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(Oc2cncc(Cl)c2)nc1
InChIInChI=1S/C11H8ClN3OS/c12-8-3-9(6-14-5-8)16-10-2-1-7(4-15-10)11(13)17/h1-6H,(H2,13,17)
InChIKeyNQRFWAMBVNPZBT-UHFFFAOYSA-N
XLogP2.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
CID 64600981
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949
6-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-(chloromethyl)-6-[(5-chloro-3-pyridinyl)oxy]pyridazine
CID 64601011
2-[(5-chloro-3-pyridinyl)oxy]-6-fluorobenzenecarbothioamide
CID 79520433

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide (CID 64600208) is 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide is NC(=S)c1ccc(Oc2cncc(Cl)c2)nc1.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide?
The InChIKey is NQRFWAMBVNPZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3OS/c12-8-3-9(6-14-5-8)16-10-2-1-7(4-15-10)11(13)17/h1-6H,(H2,13,17).
What are the key properties of 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide?
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide has a molecular weight of 265.73 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide is sourced from PubChem (CID 64600208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).