6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol

C17H19NO3 — CID 115819406

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CCc2cccnc21
InChIInChI=1S/C17H19NO3/c1-20-13-6-3-7-14(21-2)15(13)17(19)12-9-8-11-5-4-10-18-16(11)12/h3-7,10,12,17,19H,8-9H2,1-2H3
InChIKeyNMOOEASAUPNOCJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.86
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol (PubChem CID 115819406) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
PubChem CID115819406
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CCc2cccnc21
InChIInChI=1S/C17H19NO3/c1-20-13-6-3-7-14(21-2)15(13)17(19)12-9-8-11-5-4-10-18-16(11)12/h3-7,10,12,17,19H,8-9H2,1-2H3
InChIKeyNMOOEASAUPNOCJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79740006
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxyphenyl)methanamine
CID 79745843
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylfuran-2-yl)methanol
CID 79740317
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818225
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethanol
CID 112575643
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
CID 105009947
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
CID 115819532
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol (CID 115819406) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol?
The InChIKey is NMOOEASAUPNOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-13-6-3-7-14(21-2)15(13)17(19)12-9-8-11-5-4-10-18-16(11)12/h3-7,10,12,17,19H,8-9H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol has a molecular weight of 285.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 115819406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).