2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide

C13H11Cl2N3S — CID 55224619

IUPAC2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H11Cl2N3S/c1-7-5-6-8(12(16)19)13(17-7)18-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H2,16,19)(H,17,18)
InChIKeyBJPKDSLKJCAEGQ-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.07
Rot. Bonds3

About 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide

2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide (PubChem CID 55224619) has the molecular formula C13H11Cl2N3S and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
PubChem CID55224619
Molecular FormulaC13H11Cl2N3S
Molecular Weight312.23 g/mol
Exact Mass311.01
IUPAC Name2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H11Cl2N3S/c1-7-5-6-8(12(16)19)13(17-7)18-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H2,16,19)(H,17,18)
InChIKeyBJPKDSLKJCAEGQ-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
CID 63519396
2-(3-bromo-2-methylanilino)-6-methylpyridine-3-carbothioamide
CID 107635463
2-(2-chloro-4-iodoanilino)-6-methylpyridine-3-carbothioamide
CID 107606748
5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide
CID 63518190
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-3-carbothioamide
CID 107612281
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
2-bromo-4-(2,3-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 107534627
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
5-(2,3-dichloroanilino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756683
2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide
CID 82818032
6-methyl-2-[4-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63519561
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide (CID 55224619) is 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide?
The InChIKey is BJPKDSLKJCAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S/c1-7-5-6-8(12(16)19)13(17-7)18-10-4-2-3-9(14)11(10)15/h2-6H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide?
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide has a molecular weight of 312.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 55224619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).