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

C13H11N3O — CID 62465646

IUPAC4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccnc2N)cc1
InChIInChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-9-11-2-1-7-16-13(11)15/h1-7H,9H2,(H2,15,16)
InChIKeyXXHHFBMQSADGPM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.11
Rot. Bonds3

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

4-[(2-amino-3-pyridinyl)methoxy]benzonitrile (PubChem CID 62465646) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
PubChem CID62465646
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccnc2N)cc1
InChIInChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-9-11-2-1-7-16-13(11)15/h1-7H,9H2,(H2,15,16)
InChIKeyXXHHFBMQSADGPM-UHFFFAOYSA-N
XLogP2.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile (CID 62465646) is 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cccnc2N)cc1.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile?
The InChIKey is XXHHFBMQSADGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-9-11-2-1-7-16-13(11)15/h1-7H,9H2,(H2,15,16).
What are the key properties of 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile?
4-[(2-amino-3-pyridinyl)methoxy]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 62465646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).