6H-cyclohepta[c]pyridin-5-ol

C10H9NO — CID 57198009

IUPAC6H-cyclohepta[c]pyridin-5-ol
SMILESOC1=c2ccncc2=CC=CC1
InChIInChI=1S/C10H9NO/c12-10-4-2-1-3-8-7-11-6-5-9(8)10/h1-3,5-7,12H,4H2
InChIKeyLOCJUEVSJLTERH-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.49
Rot. Bonds

About 6H-cyclohepta[c]pyridin-5-ol

6H-cyclohepta[c]pyridin-5-ol (PubChem CID 57198009) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 6H-cyclohepta[c]pyridin-5-ol.

Molecular Properties

Compound Name6H-cyclohepta[c]pyridin-5-ol
PubChem CID57198009
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name6H-cyclohepta[c]pyridin-5-ol
SMILESOC1=c2ccncc2=CC=CC1
InChIInChI=1S/C10H9NO/c12-10-4-2-1-3-8-7-11-6-5-9(8)10/h1-3,5-7,12H,4H2
InChIKeyLOCJUEVSJLTERH-UHFFFAOYSA-N
XLogP0.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[c]pyridin-5-ol?
The IUPAC name of 6H-cyclohepta[c]pyridin-5-ol (CID 57198009) is 6H-cyclohepta[c]pyridin-5-ol.
What is the SMILES notation for 6H-cyclohepta[c]pyridin-5-ol?
The canonical SMILES for 6H-cyclohepta[c]pyridin-5-ol is OC1=c2ccncc2=CC=CC1.
What is the InChIKey of 6H-cyclohepta[c]pyridin-5-ol?
The InChIKey is LOCJUEVSJLTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-4-2-1-3-8-7-11-6-5-9(8)10/h1-3,5-7,12H,4H2.
What are the key properties of 6H-cyclohepta[c]pyridin-5-ol?
6H-cyclohepta[c]pyridin-5-ol has a molecular weight of 159.19 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[c]pyridin-5-ol is sourced from PubChem (CID 57198009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).