2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide

C11H8ClN3OS — CID 64600981

IUPAC2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C11H8ClN3OS/c12-8-4-9(6-14-5-8)16-10-3-7(11(13)17)1-2-15-10/h1-6H,(H2,13,17)
InChIKeyKTCPBECTZOSTFA-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.56
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide

2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide (PubChem CID 64600981) has the molecular formula C11H8ClN3OS and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
PubChem CID64600981
Molecular FormulaC11H8ClN3OS
Molecular Weight265.73 g/mol
Exact Mass265.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(Oc2cncc(Cl)c2)c1
InChIInChI=1S/C11H8ClN3OS/c12-8-4-9(6-14-5-8)16-10-3-7(11(13)17)1-2-15-10/h1-6H,(H2,13,17)
InChIKeyKTCPBECTZOSTFA-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-carboximidamide
CID 64602153
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carbothioamide
CID 28825096
2-(4-bromo-2-chlorophenoxy)pyridine-4-carbothioamide
CID 28893016
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
2-[(5-chloro-3-pyridinyl)oxy]-6-fluorobenzenecarbothioamide
CID 79520433
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-(4-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 43123431

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide (CID 64600981) is 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide is NC(=S)c1ccnc(Oc2cncc(Cl)c2)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide?
The InChIKey is KTCPBECTZOSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3OS/c12-8-4-9(6-14-5-8)16-10-3-7(11(13)17)1-2-15-10/h1-6H,(H2,13,17).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide?
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-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 2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carbothioamide is sourced from PubChem (CID 64600981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).