2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H12FNO2S — CID 62703459

IUPAC2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Sc1ccc(F)cc1)CCC2
InChIInChI=1S/C15H12FNO2S/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19)
InChIKeyDYSKRVLWIWPUPQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.56
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62703459) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62703459
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Sc1ccc(F)cc1)CCC2
InChIInChI=1S/C15H12FNO2S/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19)
InChIKeyDYSKRVLWIWPUPQ-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-(thiophen-2-yl)pyridine-3-carboxylic acid
CID 8893255
3-Pyridinecarboxylic acid, 6-methyl-2-(phenylthio)-
CID 809546
2-Methyl-6-(thiophen-3-yl)pyridine-3-carboxylic acid
CID 47003235
methyl 2-(3-cyano-2-oxopropyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
CID 2986050
4,6-Diethyl-5-[(ethylsulfanyl)carbonyl]-2-phenylpyridine-3-carboxylic acid
CID 88184812
6-(Difluoromethyl)-4-ethyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 21282445
6-(Difluoromethyl)-4-methyl-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 21282452
6-(Difluoromethyl)-4-(2-methylpropyl)-5-phenylsulfanyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 21282455
5-(Benzenesulfinyl)-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 21282461
5-(Benzenesulfinyl)-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 21282463
4-(4-Fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 21471523
6-(4-Fluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 24277790

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62703459) is 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1Sc1ccc(F)cc1)CCC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is DYSKRVLWIWPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-10-4-6-11(7-5-10)20-14-12(15(18)19)8-9-2-1-3-13(9)17-14/h4-8H,1-3H2,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62703459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).