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

C14H13NO3S — CID 107782665

IUPAC2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1occc1Sc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-13-10(14(16)17)7-9-3-2-4-11(9)15-13/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyDPGZWDMVBUCYHH-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.32
Rot. Bonds3

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

2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 107782665) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID107782665
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1occc1Sc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-13-10(14(16)17)7-9-3-2-4-11(9)15-13/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyDPGZWDMVBUCYHH-UHFFFAOYSA-N
XLogP3.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 107782665) is 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Cc1occc1Sc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is DPGZWDMVBUCYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-12(5-6-18-8)19-13-10(14(16)17)7-9-3-2-4-11(9)15-13/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 107782665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).