2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

C14H12ClN3O — CID 107717867

IUPAC2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2c(N)cccc2Cl)n1
InChIInChI=1S/C14H12ClN3O/c1-8-6-9(2)18-14(10(8)7-16)19-13-11(15)4-3-5-12(13)17/h3-6H,17H2,1-2H3
InChIKeyYUYRRGPXRQJALJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 107717867) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID107717867
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2c(N)cccc2Cl)n1
InChIInChI=1S/C14H12ClN3O/c1-8-6-9(2)18-14(10(8)7-16)19-13-11(15)4-3-5-12(13)17/h3-6H,17H2,1-2H3
InChIKeyYUYRRGPXRQJALJ-UHFFFAOYSA-N
XLogP3.60
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.60
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-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
5-(2-amino-6-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 107717831
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 82717285
3-chloro-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 107717858
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447
2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60677946
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63649827
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 107717867) is 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2c(N)cccc2Cl)n1.
What is the InChIKey of 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YUYRRGPXRQJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-6-9(2)18-14(10(8)7-16)19-13-11(15)4-3-5-12(13)17/h3-6H,17H2,1-2H3.
What are the key properties of 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107717867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).