2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid

C8H9ClN2O2S — CID 143234511

IUPAC2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
SMILESCSN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O2S/c1-11(14-2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13)
InChIKeyPYBBZFAUAUGCTB-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid (PubChem CID 143234511) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
PubChem CID143234511
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
SMILESCSN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O2S/c1-11(14-2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13)
InChIKeyPYBBZFAUAUGCTB-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-chloropyridine-4-carboxylic acid
CID 236986
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Dimethylamino-isonicotinic acid
CID 6484234
2-(Dimethylamino)pyridine-4-carboxylic acid hydrochloride
CID 54592810
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989
2-Chloro-6-hydrazino isonicotinic acid
CID 20073431
2-Fluoro-6-(pyrrolidin-1-yl)isonicotinic acid
CID 46318079
2-Chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 61502443
2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
CID 87235045
3-Chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
CID 139405230
3-Chloro-2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 139405293
6-(Azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid
CID 139405296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid (CID 143234511) is 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid is CSN(C)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid?
The InChIKey is PYBBZFAUAUGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-11(14-2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid has a molecular weight of 232.69 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 143234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).