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

C15H14F2N2O3 — CID 59226511

IUPAC3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccc(F)c(-c2nc(C(=O)O)c(N)cc2F)c1
InChIInChI=1S/C15H14F2N2O3/c1-2-5-22-8-3-4-10(16)9(6-8)13-11(17)7-12(18)14(19-13)15(20)21/h3-4,6-7H,2,5,18H2,1H3,(H,20,21)
InChIKeyISRZUJOHTDBDMX-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.10
Rot. Bonds5

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

3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 59226511) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
PubChem CID59226511
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid
SMILESCCCOc1ccc(F)c(-c2nc(C(=O)O)c(N)cc2F)c1
InChIInChI=1S/C15H14F2N2O3/c1-2-5-22-8-3-4-10(16)9(6-8)13-11(17)7-12(18)14(19-13)15(20)21/h3-4,6-7H,2,5,18H2,1H3,(H,20,21)
InChIKeyISRZUJOHTDBDMX-UHFFFAOYSA-N
XLogP3.10
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid (CID 59226511) is 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid is CCCOc1ccc(F)c(-c2nc(C(=O)O)c(N)cc2F)c1.
What is the InChIKey of 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is ISRZUJOHTDBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-2-5-22-8-3-4-10(16)9(6-8)13-11(17)7-12(18)14(19-13)15(20)21/h3-4,6-7H,2,5,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid?
3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 308.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-6-(2-fluoro-5-propoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 59226511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).