4-pyrimidin-2-yloxybenzonitrile

C11H7N3O — CID 901072

IUPAC4-pyrimidin-2-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C11H7N3O/c12-8-9-2-4-10(5-3-9)15-11-13-6-1-7-14-11/h1-7H
InChIKeyGJOHLRSDLHLMOW-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.14
Rot. Bonds2

About 4-pyrimidin-2-yloxybenzonitrile

4-pyrimidin-2-yloxybenzonitrile (PubChem CID 901072) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-pyrimidin-2-yloxybenzonitrile
PubChem CID901072
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name4-pyrimidin-2-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C11H7N3O/c12-8-9-2-4-10(5-3-9)15-11-13-6-1-7-14-11/h1-7H
InChIKeyGJOHLRSDLHLMOW-UHFFFAOYSA-N
XLogP2.14
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxybenzonitrile?
The IUPAC name of 4-pyrimidin-2-yloxybenzonitrile (CID 901072) is 4-pyrimidin-2-yloxybenzonitrile.
What is the SMILES notation for 4-pyrimidin-2-yloxybenzonitrile?
The canonical SMILES for 4-pyrimidin-2-yloxybenzonitrile is N#Cc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 4-pyrimidin-2-yloxybenzonitrile?
The InChIKey is GJOHLRSDLHLMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-8-9-2-4-10(5-3-9)15-11-13-6-1-7-14-11/h1-7H.
What are the key properties of 4-pyrimidin-2-yloxybenzonitrile?
4-pyrimidin-2-yloxybenzonitrile has a molecular weight of 197.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxybenzonitrile is sourced from PubChem (CID 901072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).