6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine
C79H78N10O4S3 — CID 158631805
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine
SMILESc1ccc2ncccc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCC2.c1cnc2ccsc2c1.c1cnc2cscc2c1.c1cnc2sccc2c1
InChIInChI=1S/C9H11N.C9H7N.4C8H9NO.C8H9N.3C7H5NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1/h3,5,7H,1-2,4,6H2;1-7H;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;2,4,6H,1,3,5H2;3*1-5H
InChIKeyHZHCLPZSOHLZJU-UHFFFAOYSA-N
MW1327.76 g/mol
LogP17.78
Rot. Bonds
About 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine
6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine (PubChem CID 158631805) has the molecular formula C79H78N10O4S3 and a molecular weight of 1327.76 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine.
Molecular Properties
| Compound Name | 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine |
|---|---|
| PubChem CID | 158631805 |
| Molecular Formula | C79H78N10O4S3 |
| Molecular Weight | 1327.76 g/mol |
| Exact Mass | 1326.54 |
| IUPAC Name | 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine |
| SMILES | c1ccc2ncccc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCC2.c1cnc2ccsc2c1.c1cnc2cscc2c1.c1cnc2sccc2c1 |
| InChI | InChI=1S/C9H11N.C9H7N.4C8H9NO.C8H9N.3C7H5NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1/h3,5,7H,1-2,4,6H2;1-7H;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;2,4,6H,1,3,5H2;3*1-5H |
| InChIKey | HZHCLPZSOHLZJU-UHFFFAOYSA-N |
| XLogP | 17.78 |
| TPSA | 165.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | |
| Heavy Atoms | 96 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1327.76 |
| LogP ≤ 5 | 17.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine (CID 158631805) is 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine is c1ccc2ncccc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCC2.c1cnc2ccsc2c1.c1cnc2cscc2c1.c1cnc2sccc2c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine?
The InChIKey is HZHCLPZSOHLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H7N.4C8H9NO.C8H9N.3C7H5NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1/h3,5,7H,1-2,4,6H2;1-7H;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;2,4,6H,1,3,5H2;3*1-5H.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine?
6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine has a molecular weight of 1327.76 g/mol, XLogP of 17.78, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;quinoline;5,6,7,8-tetrahydroquinoline;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine is sourced from PubChem (CID 158631805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158631805 — identifiers, structure, computed properties (public domain)
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