2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H15NO3S — CID 63649585

IUPAC2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCSc1ccccc1Oc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H15NO3S/c1-21-14-8-3-2-7-13(14)20-15-11(16(18)19)9-10-5-4-6-12(10)17-15/h2-3,7-9H,4-6H2,1H3,(H,18,19)
InChIKeyPLYZEOOJZUJRRM-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 63649585) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID63649585
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCSc1ccccc1Oc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H15NO3S/c1-21-14-8-3-2-7-13(14)20-15-11(16(18)19)9-10-5-4-6-12(10)17-15/h2-3,7-9H,4-6H2,1H3,(H,18,19)
InChIKeyPLYZEOOJZUJRRM-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701399
2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702932
2-(4-bromophenoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62702572
2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107667
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666
2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103285851
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701508
2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63686253
2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 107658174
2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703459
2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103406977

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 63649585) is 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CSc1ccccc1Oc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PLYZEOOJZUJRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-21-14-8-3-2-7-13(14)20-15-11(16(18)19)9-10-5-4-6-12(10)17-15/h2-3,7-9H,4-6H2,1H3,(H,18,19).
What are the key properties of 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 63649585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).