2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid

C20H17FN2O3 — CID 24991946

IUPAC2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O3/c1-2-26-15-6-3-5-13(11-15)14-8-9-18(17(21)12-14)23-19-16(20(24)25)7-4-10-22-19/h3-12H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyKQEDVMAOFHJZAA-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.73
Rot. Bonds6

About 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid

2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24991946) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid
PubChem CID24991946
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H17FN2O3/c1-2-26-15-6-3-5-13(11-15)14-8-9-18(17(21)12-14)23-19-16(20(24)25)7-4-10-22-19/h3-12H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyKQEDVMAOFHJZAA-UHFFFAOYSA-N
XLogP4.73
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid (CID 24991946) is 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid is CCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is KQEDVMAOFHJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-2-26-15-6-3-5-13(11-15)14-8-9-18(17(21)12-14)23-19-16(20(24)25)7-4-10-22-19/h3-12H,2H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid?
2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24991946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).