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

C9H8ClNO2 — CID 141286935

IUPAC4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h1-3,5H,4H2,(H,11,12);1H
InChIKeyFDHVSFJQPCEKPU-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.72
Rot. Bonds1

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

4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 141286935) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
PubChem CID141286935
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h1-3,5H,4H2,(H,11,12);1H
InChIKeyFDHVSFJQPCEKPU-UHFFFAOYSA-N
XLogP1.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4H-cyclopenta[b]pyridine-3-carboxylic acid
CID 141286936

Frequently Asked Questions

What is the IUPAC name of 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (CID 141286935) is 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1=CN=C2C=CC=C2C1.
What is the InChIKey of 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is FDHVSFJQPCEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h1-3,5H,4H2,(H,11,12);1H.
What are the key properties of 4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 1.72, 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;hydrochloride is sourced from PubChem (CID 141286935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).