(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C18H20F2N2O — CID 70965676

IUPAC(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCN(C)c1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2
InChIInChI=1S/C18H20F2N2O/c1-22(2)16-9-7-12-10-11(6-8-15(23)18(12)21-16)13-4-3-5-14(19)17(13)20/h3-5,7,9,11,15,23H,6,8,10H2,1-2H3/t11-,15-/m1/s1
InChIKeyKWBPQTIUWSXBID-IAQYHMDHSA-N
MW318.37 g/mol
LogP3.58
Rot. Bonds2

About (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 70965676) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID70965676
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCN(C)c1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2
InChIInChI=1S/C18H20F2N2O/c1-22(2)16-9-7-12-10-11(6-8-15(23)18(12)21-16)13-4-3-5-14(19)17(13)20/h3-5,7,9,11,15,23H,6,8,10H2,1-2H3/t11-,15-/m1/s1
InChIKeyKWBPQTIUWSXBID-IAQYHMDHSA-N
XLogP3.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 70965676) is (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is CN(C)c1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2.
What is the InChIKey of (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is KWBPQTIUWSXBID-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-22(2)16-9-7-12-10-11(6-8-15(23)18(12)21-16)13-4-3-5-14(19)17(13)20/h3-5,7,9,11,15,23H,6,8,10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 318.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 70965676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).