5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C9H10ClN — CID 139370006

IUPAC5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1ccc2c(n1)CCC2Cl
InChIInChI=1S/C9H10ClN/c1-6-2-3-7-8(10)4-5-9(7)11-6/h2-3,8H,4-5H2,1H3
InChIKeyRCIBLLVCAXMMRF-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.62
Rot. Bonds

About 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 139370006) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID139370006
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1ccc2c(n1)CCC2Cl
InChIInChI=1S/C9H10ClN/c1-6-2-3-7-8(10)4-5-9(7)11-6/h2-3,8H,4-5H2,1H3
InChIKeyRCIBLLVCAXMMRF-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.62
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 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 139370006) is 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine is Cc1ccc2c(n1)CCC2Cl.
What is the InChIKey of 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is RCIBLLVCAXMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-2-3-7-8(10)4-5-9(7)11-6/h2-3,8H,4-5H2,1H3.
What are the key properties of 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 167.64 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 139370006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).