5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid

C15H16N2O4 — CID 81447219

IUPAC5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCOCCc1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H16N2O4/c1-20-7-6-10-2-4-12(5-3-10)21-14-13(16)8-11(9-17-14)15(18)19/h2-5,8-9H,6-7,16H2,1H3,(H,18,19)
InChIKeyLTHPLVKBCRMXLJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.34
Rot. Bonds6

About 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid

5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 81447219) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID81447219
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
SMILESCOCCc1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C15H16N2O4/c1-20-7-6-10-2-4-12(5-3-10)21-14-13(16)8-11(9-17-14)15(18)19/h2-5,8-9H,6-7,16H2,1H3,(H,18,19)
InChIKeyLTHPLVKBCRMXLJ-UHFFFAOYSA-N
XLogP2.34
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869
2-[4-(2-methoxyethyl)phenoxy]pyridin-3-amine
CID 43352037
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
CID 146305775

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid (CID 81447219) is 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid is COCCc1ccc(Oc2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is LTHPLVKBCRMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-7-6-10-2-4-12(5-3-10)21-14-13(16)8-11(9-17-14)15(18)19/h2-5,8-9H,6-7,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid?
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81447219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).