3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile

C13H11N3O2 — CID 55213766

IUPAC3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
SMILESCOc1cccc(Oc2ccc(C#N)cc2N)n1
InChIInChI=1S/C13H11N3O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-14)7-10(11)15/h2-7H,15H2,1H3
InChIKeyHOJKCKZBUFEDIA-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile

3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile (PubChem CID 55213766) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
PubChem CID55213766
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
SMILESCOc1cccc(Oc2ccc(C#N)cc2N)n1
InChIInChI=1S/C13H11N3O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-14)7-10(11)15/h2-7H,15H2,1H3
InChIKeyHOJKCKZBUFEDIA-UHFFFAOYSA-N
XLogP2.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
3-amino-4-pyridazin-3-yloxybenzonitrile
CID 62482847
4-[(6-methoxy-2-pyridinyl)oxy]naphthalen-1-amine
CID 63692036
3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
CID 63985087
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80863266
3-amino-4-pyridin-4-yloxybenzonitrile
CID 61388507
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
2-methoxyquinoline-7-carbonitrile
CID 131198350
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile (CID 55213766) is 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile is COc1cccc(Oc2ccc(C#N)cc2N)n1.
What is the InChIKey of 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile?
The InChIKey is HOJKCKZBUFEDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-12-3-2-4-13(16-12)18-11-6-5-9(8-14)7-10(11)15/h2-7H,15H2,1H3.
What are the key properties of 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile?
3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 55213766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).