3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile

C12H8FN3O — CID 113458316

IUPAC3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1c(N)cccc1F
InChIInChI=1S/C12H8FN3O/c13-9-2-1-3-10(15)12(9)17-11-7-16-5-4-8(11)6-14/h1-5,7H,15H2
InChIKeyWENKZFPKIUMHJB-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds2

About 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile

3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile (PubChem CID 113458316) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
PubChem CID113458316
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1c(N)cccc1F
InChIInChI=1S/C12H8FN3O/c13-9-2-1-3-10(15)12(9)17-11-7-16-5-4-8(11)6-14/h1-5,7H,15H2
InChIKeyWENKZFPKIUMHJB-UHFFFAOYSA-N
XLogP2.47
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.47
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 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile (CID 113458316) is 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile is N#Cc1ccncc1Oc1c(N)cccc1F.
What is the InChIKey of 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile?
The InChIKey is WENKZFPKIUMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-2-1-3-10(15)12(9)17-11-7-16-5-4-8(11)6-14/h1-5,7H,15H2.
What are the key properties of 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile?
3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 113458316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).