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

C16H15F2NO — CID 66810915

IUPAC6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESOC1CCC(c2cccc(F)c2F)Cc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-13-5-1-4-12(15(13)18)10-6-7-14(20)16-11(9-10)3-2-8-19-16/h1-5,8,10,14,20H,6-7,9H2
InChIKeyYGLIICXSLSHVJA-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.51
Rot. Bonds1

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

6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 66810915) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID66810915
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESOC1CCC(c2cccc(F)c2F)Cc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-13-5-1-4-12(15(13)18)10-6-7-14(20)16-11(9-10)3-2-8-19-16/h1-5,8,10,14,20H,6-7,9H2
InChIKeyYGLIICXSLSHVJA-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]pyridin-9-ol?
The IUPAC name of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 66810915) is 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is OC1CCC(c2cccc(F)c2F)Cc2cccnc21.
What is the InChIKey of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is YGLIICXSLSHVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-5-1-4-12(15(13)18)10-6-7-14(20)16-11(9-10)3-2-8-19-16/h1-5,8,10,14,20H,6-7,9H2.
What are the key properties of 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 275.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 66810915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).