5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile

C13H10FN3O — CID 102980272

IUPAC5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(F)cc1Oc1ncc(N)cc1C#N
InChIInChI=1S/C13H10FN3O/c1-8-2-3-10(14)5-12(8)18-13-9(6-15)4-11(16)7-17-13/h2-5,7H,16H2,1H3
InChIKeyUZIKRNVMTKSIRT-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.78
Rot. Bonds2

About 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile

5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile (PubChem CID 102980272) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
PubChem CID102980272
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(F)cc1Oc1ncc(N)cc1C#N
InChIInChI=1S/C13H10FN3O/c1-8-2-3-10(14)5-12(8)18-13-9(6-15)4-11(16)7-17-13/h2-5,7H,16H2,1H3
InChIKeyUZIKRNVMTKSIRT-UHFFFAOYSA-N
XLogP2.78
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-fluoro-5-methylphenoxy)pyridine-3-carbonitrile
CID 64854984
5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 54861089
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile (CID 102980272) is 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile is Cc1ccc(F)cc1Oc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile?
The InChIKey is UZIKRNVMTKSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-2-3-10(14)5-12(8)18-13-9(6-15)4-11(16)7-17-13/h2-5,7H,16H2,1H3.
What are the key properties of 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile?
5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 102980272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).