2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide

C13H12ClN3S — CID 55101658

IUPAC2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8-5-6-11(12(15)16)13(17-8)18-10-4-2-3-9(14)7-10/h2-7H,1H3,(H3,15,16)
InChIKeyAEBUQPKNKSBLNH-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide

2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide (PubChem CID 55101658) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
PubChem CID55101658
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8-5-6-11(12(15)16)13(17-8)18-10-4-2-3-9(14)7-10/h2-7H,1H3,(H3,15,16)
InChIKeyAEBUQPKNKSBLNH-UHFFFAOYSA-N
XLogP3.48
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 115478457
3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55102696
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
CID 55152641
3-(4-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515661
6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 107551821

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide (CID 55101658) is 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide?
The InChIKey is AEBUQPKNKSBLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8-5-6-11(12(15)16)13(17-8)18-10-4-2-3-9(14)7-10/h2-7H,1H3,(H3,15,16).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide?
2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide has a molecular weight of 277.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 55101658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).