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

C15H14ClN — CID 118037185

IUPAC4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-9-13(16)12-6-3-7-14(12)17-15/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyJJSZESUKHOXWAC-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.20
Rot. Bonds1

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

4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 118037185) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID118037185
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-9-13(16)12-6-3-7-14(12)17-15/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyJJSZESUKHOXWAC-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.20
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-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 118037185) is 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Cc1cccc(-c2cc(Cl)c3c(n2)CCC3)c1.
What is the InChIKey of 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is JJSZESUKHOXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-9-13(16)12-6-3-7-14(12)17-15/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 243.74 g/mol, XLogP of 4.20, 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-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 118037185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).