2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid

C9H12ClN3O4S — CID 43546272

IUPAC2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H12ClN3O4S/c1-18(16,17)12-3-2-11-8-5-6(9(14)15)4-7(10)13-8/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyJQBLWBFMMNGKHI-UHFFFAOYSA-N
MW293.73 g/mol
LogP0.39
Rot. Bonds6

About 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid

2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid (PubChem CID 43546272) has the molecular formula C9H12ClN3O4S and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
PubChem CID43546272
Molecular FormulaC9H12ClN3O4S
Molecular Weight293.73 g/mol
Exact Mass293.02
IUPAC Name2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)NCCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H12ClN3O4S/c1-18(16,17)12-3-2-11-8-5-6(9(14)15)4-7(10)13-8/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyJQBLWBFMMNGKHI-UHFFFAOYSA-N
XLogP0.39
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
5-[[4,6-bis[2-(methanesulfonamido)ethylamino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 90253652
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid (CID 43546272) is 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid is CS(=O)(=O)NCCNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is JQBLWBFMMNGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S/c1-18(16,17)12-3-2-11-8-5-6(9(14)15)4-7(10)13-8/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid?
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 293.73 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).