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

C13H10FN3O — CID 114769789

IUPAC2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C13H10FN3O/c1-8-4-9(7-15)5-13(17-8)18-12-3-2-10(16)6-11(12)14/h2-6H,16H2,1H3
InChIKeyNDTDBOCSKDSXIF-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.78
Rot. Bonds2

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

2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 114769789) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID114769789
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C13H10FN3O/c1-8-4-9(7-15)5-13(17-8)18-12-3-2-10(16)6-11(12)14/h2-6H,16H2,1H3
InChIKeyNDTDBOCSKDSXIF-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'}

Analyze 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethylpyrimidin-4-yl)oxy-3-fluoroaniline
CID 54939493
2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
CID 114769786
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
2-methyl-6-naphthalen-1-yloxypyridine-4-carbonitrile
CID 114766811
2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103483256
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbonitrile
CID 114766792
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
5-(4-amino-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758546

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile (CID 114769789) is 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2ccc(N)cc2F)n1.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is NDTDBOCSKDSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-4-9(7-15)5-13(17-8)18-12-3-2-10(16)6-11(12)14/h2-6H,16H2,1H3.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile?
2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-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-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).