6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid

C14H13NO4S — CID 106905204

IUPAC6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C14H13NO4S/c1-19-12-7-2-3-8-13(12)20(18)9-10-5-4-6-11(15-10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyYCUROTASEURSJA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.10
Rot. Bonds5

About 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid

6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid (PubChem CID 106905204) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
PubChem CID106905204
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C14H13NO4S/c1-19-12-7-2-3-8-13(12)20(18)9-10-5-4-6-11(15-10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyYCUROTASEURSJA-UHFFFAOYSA-N
XLogP2.10
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905200
2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 61290747
2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 81207770
6-[(3-chloro-4-fluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905214
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031
2-methoxybenzenesulfinic acid;zinc
CID 175016195
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid (CID 106905204) is 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid is COc1ccccc1S(=O)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The InChIKey is YCUROTASEURSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-19-12-7-2-3-8-13(12)20(18)9-10-5-4-6-11(15-10)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106905204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).