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

C16H16ClNO2 — CID 58373723

IUPAC4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCOc1ccc(-c2ccnc3c2CCC3)c(Cl)c1OC
InChIInChI=1S/C16H16ClNO2/c1-19-14-7-6-12(15(17)16(14)20-2)10-8-9-18-13-5-3-4-11(10)13/h6-9H,3-5H2,1-2H3
InChIKeyCUXMIJPPTOTFEG-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.91
Rot. Bonds3

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

4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 58373723) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID58373723
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCOc1ccc(-c2ccnc3c2CCC3)c(Cl)c1OC
InChIInChI=1S/C16H16ClNO2/c1-19-14-7-6-12(15(17)16(14)20-2)10-8-9-18-13-5-3-4-11(10)13/h6-9H,3-5H2,1-2H3
InChIKeyCUXMIJPPTOTFEG-UHFFFAOYSA-N
XLogP3.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 58373723) is 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is COc1ccc(-c2ccnc3c2CCC3)c(Cl)c1OC.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is CUXMIJPPTOTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-14-7-6-12(15(17)16(14)20-2)10-8-9-18-13-5-3-4-11(10)13/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 289.76 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 58373723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).