2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C9H10ClN — CID 122650556

IUPAC2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClCc1ccc2c(n1)CCC2
InChIInChI=1S/C9H10ClN/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6H2
InChIKeyFABHBHNGMKKKSQ-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.31
Rot. Bonds1

About 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 122650556) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID122650556
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClCc1ccc2c(n1)CCC2
InChIInChI=1S/C9H10ClN/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6H2
InChIKeyFABHBHNGMKKKSQ-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 122650556) is 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is ClCc1ccc2c(n1)CCC2.
What is the InChIKey of 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is FABHBHNGMKKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6H2.
What are the key properties of 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 167.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 122650556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).