4H-cyclopenta[b]pyridine-3-carboxylic acid

C9H7NO2 — CID 141286936

IUPAC4H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)C1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h1-3,5H,4H2,(H,11,12)
InChIKeyTWRFMORKRHIGNW-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.30
Rot. Bonds1

About 4H-cyclopenta[b]pyridine-3-carboxylic acid

4H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 141286936) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID141286936
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name4H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)C1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h1-3,5H,4H2,(H,11,12)
InChIKeyTWRFMORKRHIGNW-UHFFFAOYSA-N
XLogP1.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151497243
CID 151497243
CID 129785130
CID 129785130
CID 69870816
CID 69870816
CID 69927599
CID 69927599
CID 87879625
CID 87879625
CID 91111325
CID 91111325
CID 118865250
CID 118865250
CID 118865263
CID 118865263

Frequently Asked Questions

What is the IUPAC name of 4H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 4H-cyclopenta[b]pyridine-3-carboxylic acid (CID 141286936) is 4H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 4H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)C1=CN=C2C=CC=C2C1.
What is the InChIKey of 4H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is TWRFMORKRHIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h1-3,5H,4H2,(H,11,12).
What are the key properties of 4H-cyclopenta[b]pyridine-3-carboxylic acid?
4H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 141286936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).