6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol

C16H15F2NO2 — CID 76795210

IUPAC6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol
SMILESOC1CC(c2cccc(F)c2F)Cc2cccnc2C1O
InChIInChI=1S/C16H15F2NO2/c17-12-5-1-4-11(14(12)18)10-7-9-3-2-6-19-15(9)16(21)13(20)8-10/h1-6,10,13,16,20-21H,7-8H2
InChIKeyPDKIEIZTEPXCNT-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.48
Rot. Bonds1

About 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol

6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol (PubChem CID 76795210) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol
PubChem CID76795210
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol
SMILESOC1CC(c2cccc(F)c2F)Cc2cccnc2C1O
InChIInChI=1S/C16H15F2NO2/c17-12-5-1-4-11(14(12)18)10-7-9-3-2-6-19-15(9)16(21)13(20)8-10/h1-6,10,13,16,20-21H,7-8H2
InChIKeyPDKIEIZTEPXCNT-UHFFFAOYSA-N
XLogP2.48
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol?
The IUPAC name of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol (CID 76795210) is 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol.
What is the SMILES notation for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol?
The canonical SMILES for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol is OC1CC(c2cccc(F)c2F)Cc2cccnc2C1O.
What is the InChIKey of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol?
The InChIKey is PDKIEIZTEPXCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-12-5-1-4-11(14(12)18)10-7-9-3-2-6-19-15(9)16(21)13(20)8-10/h1-6,10,13,16,20-21H,7-8H2.
What are the key properties of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol?
6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol has a molecular weight of 291.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-8,9-diol is sourced from PubChem (CID 76795210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).