3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid

C14H13NO3S — CID 61380434

IUPAC3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCSc1ccc(COc2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13NO3S/c1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-15-13(12)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNQDWJJXMXUUBKW-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.08
Rot. Bonds5

About 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid

3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380434) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380434
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCSc1ccc(COc2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13NO3S/c1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-15-13(12)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNQDWJJXMXUUBKW-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-methyl-2-[(4-methylsulfanylphenyl)methoxy]benzoic acid
CID 60911050
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid (CID 61380434) is 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid is CSc1ccc(COc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is NQDWJJXMXUUBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-19-11-6-4-10(5-7-11)9-18-12-3-2-8-15-13(12)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid?
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).