4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H11Cl2N — CID 90110675

IUPAC4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C14H11Cl2N/c15-10-4-1-3-9(7-10)14-8-12(16)11-5-2-6-13(11)17-14/h1,3-4,7-8H,2,5-6H2
InChIKeyZEQXPHFBSKABMD-UHFFFAOYSA-N
MW264.16 g/mol
LogP4.54
Rot. Bonds1

About 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 90110675) has the molecular formula C14H11Cl2N and a molecular weight of 264.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID90110675
Molecular FormulaC14H11Cl2N
Molecular Weight264.16 g/mol
Exact Mass263.03
IUPAC Name4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C14H11Cl2N/c15-10-4-1-3-9(7-10)14-8-12(16)11-5-2-6-13(11)17-14/h1,3-4,7-8H,2,5-6H2
InChIKeyZEQXPHFBSKABMD-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 90110675) is 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is ZEQXPHFBSKABMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N/c15-10-4-1-3-9(7-10)14-8-12(16)11-5-2-6-13(11)17-14/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 264.16 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 90110675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).