2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile

C14H12ClN3O — CID 5198037

IUPAC2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(Oc2cccc(N)c2)c(C#N)c(C)c1Cl
InChIInChI=1S/C14H12ClN3O/c1-8-12(7-16)14(18-9(2)13(8)15)19-11-5-3-4-10(17)6-11/h3-6H,17H2,1-2H3
InChIKeyUDJQUJFOPYMYQT-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile

2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 5198037) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile
PubChem CID5198037
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(Oc2cccc(N)c2)c(C#N)c(C)c1Cl
InChIInChI=1S/C14H12ClN3O/c1-8-12(7-16)14(18-9(2)13(8)15)19-11-5-3-4-10(17)6-11/h3-6H,17H2,1-2H3
InChIKeyUDJQUJFOPYMYQT-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile (CID 5198037) is 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile is Cc1nc(Oc2cccc(N)c2)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UDJQUJFOPYMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-12(7-16)14(18-9(2)13(8)15)19-11-5-3-4-10(17)6-11/h3-6H,17H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile?
2-(3-aminophenoxy)-5-chloro-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-(3-aminophenoxy)-5-chloro-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 5198037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).