5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile

C12H8FN3O — CID 54861089

IUPAC5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Oc1cccc(F)c1
InChIInChI=1S/C12H8FN3O/c13-9-2-1-3-11(5-9)17-12-8(6-14)4-10(15)7-16-12/h1-5,7H,15H2
InChIKeyRBSJCKVZCGPXNP-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.47
Rot. Bonds2

About 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile

5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile (PubChem CID 54861089) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
PubChem CID54861089
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Oc1cccc(F)c1
InChIInChI=1S/C12H8FN3O/c13-9-2-1-3-11(5-9)17-12-8(6-14)4-10(15)7-16-12/h1-5,7H,15H2
InChIKeyRBSJCKVZCGPXNP-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

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Related Compounds

5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
2-(3-fluorophenoxy)-5-formylpyridine-3-carbonitrile
CID 146387471
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
CID 102980272
5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 60924024
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
3-(3-fluorophenoxy)pyridazine-4-carbonitrile
CID 80510198
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
5-amino-2-(2-fluoro-5-methylphenoxy)pyridine-3-carbonitrile
CID 64854984
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile (CID 54861089) is 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Oc1cccc(F)c1.
What is the InChIKey of 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile?
The InChIKey is RBSJCKVZCGPXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-2-1-3-11(5-9)17-12-8(6-14)4-10(15)7-16-12/h1-5,7H,15H2.
What are the key properties of 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile?
5-amino-2-(3-fluorophenoxy)pyridine-3-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 5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 54861089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).