3-pyridin-2-ylbenzene-1,2-diol

C11H9NO2 — CID 135451134

IUPAC3-pyridin-2-ylbenzene-1,2-diol
SMILESOc1cccc(-c2ccccn2)c1O
InChIInChI=1S/C11H9NO2/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9/h1-7,13-14H
InChIKeySPGYPUPWEBZADW-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.16
Rot. Bonds1

About 3-pyridin-2-ylbenzene-1,2-diol

3-pyridin-2-ylbenzene-1,2-diol (PubChem CID 135451134) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-pyridin-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name3-pyridin-2-ylbenzene-1,2-diol
PubChem CID135451134
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-pyridin-2-ylbenzene-1,2-diol
SMILESOc1cccc(-c2ccccn2)c1O
InChIInChI=1S/C11H9NO2/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9/h1-7,13-14H
InChIKeySPGYPUPWEBZADW-UHFFFAOYSA-N
XLogP2.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

CID 69046
CID 69046
CID 30386
CID 30386
CID 5459346
CID 5459346
CID 11374
CID 11374
CID 135489221
CID 135489221
CID 22001174
CID 22001174
CID 11551123
CID 11551123
CID 25033660
CID 25033660
CID 25093398
CID 25093398
CID 25093399
CID 25093399
CID 46901446
CID 46901446
CID 46901610
CID 46901610

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbenzene-1,2-diol?
The IUPAC name of 3-pyridin-2-ylbenzene-1,2-diol (CID 135451134) is 3-pyridin-2-ylbenzene-1,2-diol.
What is the SMILES notation for 3-pyridin-2-ylbenzene-1,2-diol?
The canonical SMILES for 3-pyridin-2-ylbenzene-1,2-diol is Oc1cccc(-c2ccccn2)c1O.
What is the InChIKey of 3-pyridin-2-ylbenzene-1,2-diol?
The InChIKey is SPGYPUPWEBZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9/h1-7,13-14H.
What are the key properties of 3-pyridin-2-ylbenzene-1,2-diol?
3-pyridin-2-ylbenzene-1,2-diol has a molecular weight of 187.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylbenzene-1,2-diol is sourced from PubChem (CID 135451134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).