5-amino-2-pyridin-2-yloxybenzonitrile

C12H9N3O — CID 61388646

IUPAC5-amino-2-pyridin-2-yloxybenzonitrile
SMILESN#Cc1cc(N)ccc1Oc1ccccn1
InChIInChI=1S/C12H9N3O/c13-8-9-7-10(14)4-5-11(9)16-12-3-1-2-6-15-12/h1-7H,14H2
InChIKeyDHXLKICWTPIYPB-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.33
Rot. Bonds2

About 5-amino-2-pyridin-2-yloxybenzonitrile

5-amino-2-pyridin-2-yloxybenzonitrile (PubChem CID 61388646) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-2-pyridin-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-amino-2-pyridin-2-yloxybenzonitrile
PubChem CID61388646
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-amino-2-pyridin-2-yloxybenzonitrile
SMILESN#Cc1cc(N)ccc1Oc1ccccn1
InChIInChI=1S/C12H9N3O/c13-8-9-7-10(14)4-5-11(9)16-12-3-1-2-6-15-12/h1-7H,14H2
InChIKeyDHXLKICWTPIYPB-UHFFFAOYSA-N
XLogP2.33
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-pyridin-2-yloxybenzonitrile?
The IUPAC name of 5-amino-2-pyridin-2-yloxybenzonitrile (CID 61388646) is 5-amino-2-pyridin-2-yloxybenzonitrile.
What is the SMILES notation for 5-amino-2-pyridin-2-yloxybenzonitrile?
The canonical SMILES for 5-amino-2-pyridin-2-yloxybenzonitrile is N#Cc1cc(N)ccc1Oc1ccccn1.
What is the InChIKey of 5-amino-2-pyridin-2-yloxybenzonitrile?
The InChIKey is DHXLKICWTPIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-8-9-7-10(14)4-5-11(9)16-12-3-1-2-6-15-12/h1-7H,14H2.
What are the key properties of 5-amino-2-pyridin-2-yloxybenzonitrile?
5-amino-2-pyridin-2-yloxybenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-pyridin-2-yloxybenzonitrile is sourced from PubChem (CID 61388646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).