4-pyrimidin-2-ylbenzene-1,2-diol

C10H8N2O2 — CID 135986081

IUPAC4-pyrimidin-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ncccn2)cc1O
InChIInChI=1S/C10H8N2O2/c13-8-3-2-7(6-9(8)14)10-11-4-1-5-12-10/h1-6,13-14H
InChIKeyNQCLBZXFGRUVFO-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.55
Rot. Bonds1

About 4-pyrimidin-2-ylbenzene-1,2-diol

4-pyrimidin-2-ylbenzene-1,2-diol (PubChem CID 135986081) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-pyrimidin-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-pyrimidin-2-ylbenzene-1,2-diol
PubChem CID135986081
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-pyrimidin-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ncccn2)cc1O
InChIInChI=1S/C10H8N2O2/c13-8-3-2-7(6-9(8)14)10-11-4-1-5-12-10/h1-6,13-14H
InChIKeyNQCLBZXFGRUVFO-UHFFFAOYSA-N
XLogP1.55
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylbenzene-1,2-diol?
The IUPAC name of 4-pyrimidin-2-ylbenzene-1,2-diol (CID 135986081) is 4-pyrimidin-2-ylbenzene-1,2-diol.
What is the SMILES notation for 4-pyrimidin-2-ylbenzene-1,2-diol?
The canonical SMILES for 4-pyrimidin-2-ylbenzene-1,2-diol is Oc1ccc(-c2ncccn2)cc1O.
What is the InChIKey of 4-pyrimidin-2-ylbenzene-1,2-diol?
The InChIKey is NQCLBZXFGRUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-8-3-2-7(6-9(8)14)10-11-4-1-5-12-10/h1-6,13-14H.
What are the key properties of 4-pyrimidin-2-ylbenzene-1,2-diol?
4-pyrimidin-2-ylbenzene-1,2-diol has a molecular weight of 188.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylbenzene-1,2-diol is sourced from PubChem (CID 135986081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).