5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide

C12H7Cl3N2OS — CID 55809561

IUPAC5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cnc(Sc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2OS/c13-7-2-1-3-8(14)10(7)19-12-9(15)4-6(5-17-12)11(16)18/h1-5H,(H2,16,18)
InChIKeyREAHWFQIERVEHX-UHFFFAOYSA-N
MW333.63 g/mol
LogP4.29
Rot. Bonds3

About 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide

5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide (PubChem CID 55809561) has the molecular formula C12H7Cl3N2OS and a molecular weight of 333.63 g/mol. Its IUPAC name is 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide
PubChem CID55809561
Molecular FormulaC12H7Cl3N2OS
Molecular Weight333.63 g/mol
Exact Mass331.93
IUPAC Name5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cnc(Sc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2OS/c13-7-2-1-3-8(14)10(7)19-12-9(15)4-6(5-17-12)11(16)18/h1-5H,(H2,16,18)
InChIKeyREAHWFQIERVEHX-UHFFFAOYSA-N
XLogP4.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.63
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide (CID 55809561) is 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide is NC(=O)c1cnc(Sc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is REAHWFQIERVEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2OS/c13-7-2-1-3-8(14)10(7)19-12-9(15)4-6(5-17-12)11(16)18/h1-5H,(H2,16,18).
What are the key properties of 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide?
5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 333.63 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,6-dichlorophenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55809561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).