(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine

C8H7Cl2N — CID 86337975

IUPAC(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccnc2c1CC[C@@H]2Cl
InChIInChI=1S/C8H7Cl2N/c9-6-3-4-11-8-5(6)1-2-7(8)10/h3-4,7H,1-2H2/t7-/m0/s1
InChIKeyZDQTXRYHERHCDQ-ZETCQYMHSA-N
MW188.06 g/mol
LogP2.96
Rot. Bonds

About (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 86337975) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID86337975
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccnc2c1CC[C@@H]2Cl
InChIInChI=1S/C8H7Cl2N/c9-6-3-4-11-8-5(6)1-2-7(8)10/h3-4,7H,1-2H2/t7-/m0/s1
InChIKeyZDQTXRYHERHCDQ-ZETCQYMHSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.96
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 (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 86337975) is (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1ccnc2c1CC[C@@H]2Cl.
What is the InChIKey of (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is ZDQTXRYHERHCDQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-6-3-4-11-8-5(6)1-2-7(8)10/h3-4,7H,1-2H2/t7-/m0/s1.
What are the key properties of (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 188.06 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7-dichloro-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 86337975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).