3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid

C15H15FN2O3 — CID 59226591

IUPAC3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccc(F)c(-c2ccc(N)c(C(=O)O)n2)c1
InChIInChI=1S/C15H15FN2O3/c1-2-7-21-9-3-4-11(16)10(8-9)13-6-5-12(17)14(18-13)15(19)20/h3-6,8H,2,7,17H2,1H3,(H,19,20)
InChIKeyRUXCXOBJRIMHNB-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid

3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 59226591) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
PubChem CID59226591
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccc(F)c(-c2ccc(N)c(C(=O)O)n2)c1
InChIInChI=1S/C15H15FN2O3/c1-2-7-21-9-3-4-11(16)10(8-9)13-6-5-12(17)14(18-13)15(19)20/h3-6,8H,2,7,17H2,1H3,(H,19,20)
InChIKeyRUXCXOBJRIMHNB-UHFFFAOYSA-N
XLogP2.96
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid (CID 59226591) is 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid is CCCOc1ccc(F)c(-c2ccc(N)c(C(=O)O)n2)c1.
What is the InChIKey of 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is RUXCXOBJRIMHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-7-21-9-3-4-11(16)10(8-9)13-6-5-12(17)14(18-13)15(19)20/h3-6,8H,2,7,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 59226591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).