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

C13H10FN3O — CID 62369184

IUPAC2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C13H10FN3O/c1-8-2-3-9(7-15)13(17-8)18-12-5-4-10(14)6-11(12)16/h2-6H,16H2,1H3
InChIKeyXMUXENQIGGGMCY-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.78
Rot. Bonds2

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

2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 62369184) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
PubChem CID62369184
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C13H10FN3O/c1-8-2-3-9(7-15)13(17-8)18-12-5-4-10(14)6-11(12)16/h2-6H,16H2,1H3
InChIKeyXMUXENQIGGGMCY-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

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile
CID 114764695
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
CID 81346292
5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
CID 102980272
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
CID 103174342
5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
CID 113458317
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile (CID 62369184) is 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Oc2ccc(F)cc2N)n1.
What is the InChIKey of 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is XMUXENQIGGGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-2-3-9(7-15)13(17-8)18-12-5-4-10(14)6-11(12)16/h2-6H,16H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
2-(2-amino-4-fluorophenoxy)-6-methylpyridine-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 2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62369184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).