5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid

C13H11ClN2O3S — CID 171502265

IUPAC5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2S(=O)O)cn1
InChIInChI=1S/C13H11ClN2O3S/c1-8-2-3-9(7-15-8)13(17)16-11-5-4-10(14)6-12(11)20(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyNXWCGRGOTMOCQG-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid

5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid (PubChem CID 171502265) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid.

Molecular Properties

Compound Name5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
PubChem CID171502265
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2S(=O)O)cn1
InChIInChI=1S/C13H11ClN2O3S/c1-8-2-3-9(7-15-8)13(17)16-11-5-4-10(14)6-12(11)20(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyNXWCGRGOTMOCQG-UHFFFAOYSA-N
XLogP2.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 51331568
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
CID 143393638
N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
CID 18158591

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid?
The IUPAC name of 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid (CID 171502265) is 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid.
What is the SMILES notation for 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid?
The canonical SMILES for 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid is Cc1ccc(C(=O)Nc2ccc(Cl)cc2S(=O)O)cn1.
What is the InChIKey of 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid?
The InChIKey is NXWCGRGOTMOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-8-2-3-9(7-15-8)13(17)16-11-5-4-10(14)6-12(11)20(18)19/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid?
5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid has a molecular weight of 310.76 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid is sourced from PubChem (CID 171502265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).