2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C9H8ClNO2 — CID 14222103

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Cl)CCC2
InChIInChI=1S/C9H8ClNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13)
InChIKeyNERLVPPFPICRNA-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 14222103) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID14222103
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Cl)CCC2
InChIInChI=1S/C9H8ClNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13)
InChIKeyNERLVPPFPICRNA-UHFFFAOYSA-N
XLogP1.92
TPSA50.19 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 14222103) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1Cl)CCC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is NERLVPPFPICRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13).
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 14222103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).