5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid

C15H16N2O3 — CID 81439064

IUPAC5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2N)c1C
InChIInChI=1S/C15H16N2O3/c1-8-4-5-9(2)13(10(8)3)20-14-12(16)6-11(7-17-14)15(18)19/h4-7H,16H2,1-3H3,(H,18,19)
InChIKeyQAJUWCROBHBHBV-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.08
Rot. Bonds3

About 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid

5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 81439064) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID81439064
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2N)c1C
InChIInChI=1S/C15H16N2O3/c1-8-4-5-9(2)13(10(8)3)20-14-12(16)6-11(7-17-14)15(18)19/h4-7H,16H2,1-3H3,(H,18,19)
InChIKeyQAJUWCROBHBHBV-UHFFFAOYSA-N
XLogP3.08
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
5-bromo-2-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 63458099
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
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-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid (CID 81439064) is 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(C)c(Oc2ncc(C(=O)O)cc2N)c1C.
What is the InChIKey of 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is QAJUWCROBHBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-4-5-9(2)13(10(8)3)20-14-12(16)6-11(7-17-14)15(18)19/h4-7H,16H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid?
5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).