6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride

C14H11ClN2OS — CID 22099782

IUPAC6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
SMILESCc1ccccc1C(=S)Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)14(19)17-12-7-6-10(8-16-12)13(15)18/h2-8H,1H3,(H,16,17,19)
InChIKeyOMJRHLCHNMZGBH-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.56
Rot. Bonds3

About 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride

6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride (PubChem CID 22099782) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
PubChem CID22099782
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
SMILESCc1ccccc1C(=S)Nc1ccc(C(=O)Cl)cn1
InChIInChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)14(19)17-12-7-6-10(8-16-12)13(15)18/h2-8H,1H3,(H,16,17,19)
InChIKeyOMJRHLCHNMZGBH-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylanilino)pyridine-3-carbonyl chloride
CID 151910424
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 137373603
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride (CID 22099782) is 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride is Cc1ccccc1C(=S)Nc1ccc(C(=O)Cl)cn1.
What is the InChIKey of 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride?
The InChIKey is OMJRHLCHNMZGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)14(19)17-12-7-6-10(8-16-12)13(15)18/h2-8H,1H3,(H,16,17,19).
What are the key properties of 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride?
6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride has a molecular weight of 290.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride is sourced from PubChem (CID 22099782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).