5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid

C15H13N3O3 — CID 81447521

IUPAC5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C#N)cc(C)c1Oc1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H13N3O3/c1-8-3-10(6-16)4-9(2)13(8)21-14-12(17)5-11(7-18-14)15(19)20/h3-5,7H,17H2,1-2H3,(H,19,20)
InChIKeySLYHKRHVLOQPRJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid

5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 81447521) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID81447521
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C#N)cc(C)c1Oc1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H13N3O3/c1-8-3-10(6-16)4-9(2)13(8)21-14-12(17)5-11(7-18-14)15(19)20/h3-5,7H,17H2,1-2H3,(H,19,20)
InChIKeySLYHKRHVLOQPRJ-UHFFFAOYSA-N
XLogP2.64
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 81439064
5-(4-cyano-2,6-dimethylphenoxy)pyrazine-2-carboxylic acid
CID 107371722
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
CID 65455237
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid (CID 81447521) is 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid is Cc1cc(C#N)cc(C)c1Oc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is SLYHKRHVLOQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-8-3-10(6-16)4-9(2)13(8)21-14-12(17)5-11(7-18-14)15(19)20/h3-5,7H,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid?
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).