2-(4-chlorophenyl)pyridine-3-carbothioamide

C12H9ClN2S — CID 57370610

IUPAC2-(4-chlorophenyl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2S/c13-9-5-3-8(4-6-9)11-10(12(14)16)2-1-7-15-11/h1-7H,(H2,14,16)
InChIKeyXESFRNTXQYWXEB-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-chlorophenyl)pyridine-3-carbothioamide

2-(4-chlorophenyl)pyridine-3-carbothioamide (PubChem CID 57370610) has the molecular formula C12H9ClN2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)pyridine-3-carbothioamide
PubChem CID57370610
Molecular FormulaC12H9ClN2S
Molecular Weight248.74 g/mol
Exact Mass248.02
IUPAC Name2-(4-chlorophenyl)pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2S/c13-9-5-3-8(4-6-9)11-10(12(14)16)2-1-7-15-11/h1-7H,(H2,14,16)
InChIKeyXESFRNTXQYWXEB-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-[(4-chlorophenyl)methoxy]pyridine-3-carbothioamide
CID 65126643
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
2-(5-chloro-2-fluoroanilino)pyridine-3-carbothioamide
CID 43438549
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850804
2-(4-chloro-2-iodoanilino)pyridine-3-carbothioamide
CID 107635581
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pyridine-3-carbothioamide?
The IUPAC name of 2-(4-chlorophenyl)pyridine-3-carbothioamide (CID 57370610) is 2-(4-chlorophenyl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-chlorophenyl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(4-chlorophenyl)pyridine-3-carbothioamide is NC(=S)c1cccnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)pyridine-3-carbothioamide?
The InChIKey is XESFRNTXQYWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S/c13-9-5-3-8(4-6-9)11-10(12(14)16)2-1-7-15-11/h1-7H,(H2,14,16).
What are the key properties of 2-(4-chlorophenyl)pyridine-3-carbothioamide?
2-(4-chlorophenyl)pyridine-3-carbothioamide has a molecular weight of 248.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pyridine-3-carbothioamide is sourced from PubChem (CID 57370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).