5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

C9H9NO3 — CID 83906286

IUPAC5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1(O)CCc2ncccc21
InChIInChI=1S/C9H9NO3/c11-8(12)9(13)4-3-7-6(9)2-1-5-10-7/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyHSKFSWJKMMKTSY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.30
Rot. Bonds1

About 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 83906286) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
PubChem CID83906286
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESO=C(O)C1(O)CCc2ncccc21
InChIInChI=1S/C9H9NO3/c11-8(12)9(13)4-3-7-6(9)2-1-5-10-7/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyHSKFSWJKMMKTSY-UHFFFAOYSA-N
XLogP0.30
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (CID 83906286) is 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is O=C(O)C1(O)CCc2ncccc21.
What is the InChIKey of 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is HSKFSWJKMMKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(12)9(13)4-3-7-6(9)2-1-5-10-7/h1-2,5,13H,3-4H2,(H,11,12).
What are the key properties of 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83906286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).