5H-cyclohepta[b]pyridin-5-ol

C10H9NO — CID 123855749

IUPAC5H-cyclohepta[b]pyridin-5-ol
SMILESOC1C=CC=Cc2ncccc21
InChIInChI=1S/C10H9NO/c12-10-6-2-1-5-9-8(10)4-3-7-11-9/h1-7,10,12H
InChIKeyUSSMMDIAHFBLBG-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.70
Rot. Bonds

About 5H-cyclohepta[b]pyridin-5-ol

5H-cyclohepta[b]pyridin-5-ol (PubChem CID 123855749) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5H-cyclohepta[b]pyridin-5-ol.

Molecular Properties

Compound Name5H-cyclohepta[b]pyridin-5-ol
PubChem CID123855749
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5H-cyclohepta[b]pyridin-5-ol
SMILESOC1C=CC=Cc2ncccc21
InChIInChI=1S/C10H9NO/c12-10-6-2-1-5-9-8(10)4-3-7-11-9/h1-7,10,12H
InChIKeyUSSMMDIAHFBLBG-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[b]pyridin-5-ol?
The IUPAC name of 5H-cyclohepta[b]pyridin-5-ol (CID 123855749) is 5H-cyclohepta[b]pyridin-5-ol.
What is the SMILES notation for 5H-cyclohepta[b]pyridin-5-ol?
The canonical SMILES for 5H-cyclohepta[b]pyridin-5-ol is OC1C=CC=Cc2ncccc21.
What is the InChIKey of 5H-cyclohepta[b]pyridin-5-ol?
The InChIKey is USSMMDIAHFBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-6-2-1-5-9-8(10)4-3-7-11-9/h1-7,10,12H.
What are the key properties of 5H-cyclohepta[b]pyridin-5-ol?
5H-cyclohepta[b]pyridin-5-ol has a molecular weight of 159.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[b]pyridin-5-ol is sourced from PubChem (CID 123855749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).