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

C16H16F2N2O — CID 70965675

IUPAC(6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESNc1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2
InChIInChI=1S/C16H16F2N2O/c17-12-3-1-2-11(15(12)18)9-4-6-13(21)16-10(8-9)5-7-14(19)20-16/h1-3,5,7,9,13,21H,4,6,8H2,(H2,19,20)/t9-,13-/m1/s1
InChIKeyDXGAXEGKPHGOAY-NOZJJQNGSA-N
MW290.31 g/mol
LogP3.10
Rot. Bonds1

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

(6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 70965675) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name(6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID70965675
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESNc1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2
InChIInChI=1S/C16H16F2N2O/c17-12-3-1-2-11(15(12)18)9-4-6-13(21)16-10(8-9)5-7-14(19)20-16/h1-3,5,7,9,13,21H,4,6,8H2,(H2,19,20)/t9-,13-/m1/s1
InChIKeyDXGAXEGKPHGOAY-NOZJJQNGSA-N
XLogP3.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 70965675) is (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is Nc1ccc2c(n1)[C@H](O)CC[C@@H](c1cccc(F)c1F)C2.
What is the InChIKey of (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is DXGAXEGKPHGOAY-NOZJJQNGSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-3-1-2-11(15(12)18)9-4-6-13(21)16-10(8-9)5-7-14(19)20-16/h1-3,5,7,9,13,21H,4,6,8H2,(H2,19,20)/t9-,13-/m1/s1.
What are the key properties of (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
(6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 290.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-2-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 70965675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).