1-hydroxycyclohepta[b]pyridine

C10H9NO — CID 172853413

IUPAC1-hydroxycyclohepta[b]pyridine
SMILESON1C=CC=C2C=CC=CC=C21
InChIInChI=1S/C10H9NO/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,12H
InChIKeyYJKCVXZPRFFUKR-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.14
Rot. Bonds

About 1-hydroxycyclohepta[b]pyridine

1-hydroxycyclohepta[b]pyridine (PubChem CID 172853413) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-hydroxycyclohepta[b]pyridine.

Molecular Properties

Compound Name1-hydroxycyclohepta[b]pyridine
PubChem CID172853413
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-hydroxycyclohepta[b]pyridine
SMILESON1C=CC=C2C=CC=CC=C21
InChIInChI=1S/C10H9NO/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,12H
InChIKeyYJKCVXZPRFFUKR-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclohepta[b]pyridine?
The IUPAC name of 1-hydroxycyclohepta[b]pyridine (CID 172853413) is 1-hydroxycyclohepta[b]pyridine.
What is the SMILES notation for 1-hydroxycyclohepta[b]pyridine?
The canonical SMILES for 1-hydroxycyclohepta[b]pyridine is ON1C=CC=C2C=CC=CC=C21.
What is the InChIKey of 1-hydroxycyclohepta[b]pyridine?
The InChIKey is YJKCVXZPRFFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h1-8,12H.
What are the key properties of 1-hydroxycyclohepta[b]pyridine?
1-hydroxycyclohepta[b]pyridine has a molecular weight of 159.19 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclohepta[b]pyridine is sourced from PubChem (CID 172853413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).