3-amino-4-pyridin-4-yloxybenzonitrile

C12H9N3O — CID 61388507

IUPAC3-amino-4-pyridin-4-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ccncc2)c(N)c1
InChIInChI=1S/C12H9N3O/c13-8-9-1-2-12(11(14)7-9)16-10-3-5-15-6-4-10/h1-7H,14H2
InChIKeyQXRDIFBCQBHJEO-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.33
Rot. Bonds2

About 3-amino-4-pyridin-4-yloxybenzonitrile

3-amino-4-pyridin-4-yloxybenzonitrile (PubChem CID 61388507) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-4-pyridin-4-yloxybenzonitrile.

Molecular Properties

Compound Name3-amino-4-pyridin-4-yloxybenzonitrile
PubChem CID61388507
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-amino-4-pyridin-4-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ccncc2)c(N)c1
InChIInChI=1S/C12H9N3O/c13-8-9-1-2-12(11(14)7-9)16-10-3-5-15-6-4-10/h1-7H,14H2
InChIKeyQXRDIFBCQBHJEO-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'}

Analyze 3-amino-4-pyridin-4-yloxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-pyridazin-3-yloxybenzonitrile
CID 62482847
3-amino-4-(3-bromo-4-cyanophenoxy)benzonitrile
CID 107280443
3-amino-4-[(3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 106876020
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
CID 55213766
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
4-amino-3-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 104712583
3-amino-4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 43518305
3-amino-4-(2,3,5-trimethylphenoxy)benzonitrile
CID 43518303
3-amino-4-(pyridin-4-ylamino)benzonitrile
CID 115127397
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-pyridin-4-yloxybenzonitrile?
The IUPAC name of 3-amino-4-pyridin-4-yloxybenzonitrile (CID 61388507) is 3-amino-4-pyridin-4-yloxybenzonitrile.
What is the SMILES notation for 3-amino-4-pyridin-4-yloxybenzonitrile?
The canonical SMILES for 3-amino-4-pyridin-4-yloxybenzonitrile is N#Cc1ccc(Oc2ccncc2)c(N)c1.
What is the InChIKey of 3-amino-4-pyridin-4-yloxybenzonitrile?
The InChIKey is QXRDIFBCQBHJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-8-9-1-2-12(11(14)7-9)16-10-3-5-15-6-4-10/h1-7H,14H2.
What are the key properties of 3-amino-4-pyridin-4-yloxybenzonitrile?
3-amino-4-pyridin-4-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 3-amino-4-pyridin-4-yloxybenzonitrile is sourced from PubChem (CID 61388507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).