2H-cyclohepta[c]pyridin-1-ol

C10H9NO — CID 88644641

IUPAC2H-cyclohepta[c]pyridin-1-ol
SMILESOC1=C2C=CC=CC=C2C=CN1
InChIInChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-7,11-12H
InChIKeySZPKFHKJIDZNQM-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.93
Rot. Bonds

About 2H-cyclohepta[c]pyridin-1-ol

2H-cyclohepta[c]pyridin-1-ol (PubChem CID 88644641) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2H-cyclohepta[c]pyridin-1-ol.

Molecular Properties

Compound Name2H-cyclohepta[c]pyridin-1-ol
PubChem CID88644641
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2H-cyclohepta[c]pyridin-1-ol
SMILESOC1=C2C=CC=CC=C2C=CN1
InChIInChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-7,11-12H
InChIKeySZPKFHKJIDZNQM-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[c]pyridin-1-ol?
The IUPAC name of 2H-cyclohepta[c]pyridin-1-ol (CID 88644641) is 2H-cyclohepta[c]pyridin-1-ol.
What is the SMILES notation for 2H-cyclohepta[c]pyridin-1-ol?
The canonical SMILES for 2H-cyclohepta[c]pyridin-1-ol is OC1=C2C=CC=CC=C2C=CN1.
What is the InChIKey of 2H-cyclohepta[c]pyridin-1-ol?
The InChIKey is SZPKFHKJIDZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-7,11-12H.
What are the key properties of 2H-cyclohepta[c]pyridin-1-ol?
2H-cyclohepta[c]pyridin-1-ol has a molecular weight of 159.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[c]pyridin-1-ol is sourced from PubChem (CID 88644641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).