5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid

C15H16N2O3 — CID 81438860

IUPAC5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-3-5-12(6-4-10)20-14-13(16)7-11(8-17-14)15(18)19/h3-9H,16H2,1-2H3,(H,18,19)
InChIKeyMFWYIZRZBQUKJI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds4

About 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid

5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid (PubChem CID 81438860) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
PubChem CID81438860
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-3-5-12(6-4-10)20-14-13(16)7-11(8-17-14)15(18)19/h3-9H,16H2,1-2H3,(H,18,19)
InChIKeyMFWYIZRZBQUKJI-UHFFFAOYSA-N
XLogP3.28
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid (CID 81438860) is 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid is CC(C)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is MFWYIZRZBQUKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)10-3-5-12(6-4-10)20-14-13(16)7-11(8-17-14)15(18)19/h3-9H,16H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81438860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).