6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride

C9H10ClNO2 — CID 66815672

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)CCC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyRWTKLHUFPNWEJK-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.69
Rot. Bonds1

About 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride

6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 66815672) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
PubChem CID66815672
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)CCC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyRWTKLHUFPNWEJK-UHFFFAOYSA-N
XLogP1.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (CID 66815672) is 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2c(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is RWTKLHUFPNWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 66815672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).