1H-cyclohepta[b]pyridine-8,9-diol

C10H9NO2 — CID 141297281

IUPAC1H-cyclohepta[b]pyridine-8,9-diol
SMILESOC1=CC=CC2=CC=CNC2=C1O
InChIInChI=1S/C10H9NO2/c12-8-5-1-3-7-4-2-6-11-9(7)10(8)13/h1-6,11-13H
InChIKeyCVGDOKQHHZLKPK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.81
Rot. Bonds

About 1H-cyclohepta[b]pyridine-8,9-diol

1H-cyclohepta[b]pyridine-8,9-diol (PubChem CID 141297281) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-cyclohepta[b]pyridine-8,9-diol.

Molecular Properties

Compound Name1H-cyclohepta[b]pyridine-8,9-diol
PubChem CID141297281
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1H-cyclohepta[b]pyridine-8,9-diol
SMILESOC1=CC=CC2=CC=CNC2=C1O
InChIInChI=1S/C10H9NO2/c12-8-5-1-3-7-4-2-6-11-9(7)10(8)13/h1-6,11-13H
InChIKeyCVGDOKQHHZLKPK-UHFFFAOYSA-N
XLogP1.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxycyclohepta[1,2-c]pyridine
CID 21276159
5-methylidene-1H-quinolin-8-ol
CID 87400395
1H-cyclohepta[b]pyridin-9-ol
CID 141340000
5-methyl-1H-cyclohepta[b]pyrrol-5-ol
CID 143306256
1H-cyclohepta[b]pyridine-5,9-diol
CID 144171832
1H-cyclohepta[b]pyridin-5-ol
CID 153721175
1,6-Dimethyl-5-(methylamino)azepin-3-ol
CID 143695187
1,5-Dihydroquinolin-8-ol
CID 165154010

Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[b]pyridine-8,9-diol?
The IUPAC name of 1H-cyclohepta[b]pyridine-8,9-diol (CID 141297281) is 1H-cyclohepta[b]pyridine-8,9-diol.
What is the SMILES notation for 1H-cyclohepta[b]pyridine-8,9-diol?
The canonical SMILES for 1H-cyclohepta[b]pyridine-8,9-diol is OC1=CC=CC2=CC=CNC2=C1O.
What is the InChIKey of 1H-cyclohepta[b]pyridine-8,9-diol?
The InChIKey is CVGDOKQHHZLKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-8-5-1-3-7-4-2-6-11-9(7)10(8)13/h1-6,11-13H.
What are the key properties of 1H-cyclohepta[b]pyridine-8,9-diol?
1H-cyclohepta[b]pyridine-8,9-diol has a molecular weight of 175.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[b]pyridine-8,9-diol is sourced from PubChem (CID 141297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).