3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid

C14H11FN2O4 — CID 104739937

IUPAC3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H11FN2O4/c15-9-3-5-10(6-4-9)21-8-12(18)17-11-2-1-7-16-13(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyKNHISVXULDXLLO-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.94
Rot. Bonds5

About 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104739937) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104739937
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H11FN2O4/c15-9-3-5-10(6-4-9)21-8-12(18)17-11-2-1-7-16-13(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyKNHISVXULDXLLO-UHFFFAOYSA-N
XLogP1.94
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid (CID 104739937) is 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid is O=C(COc1ccc(F)cc1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is KNHISVXULDXLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-9-3-5-10(6-4-9)21-8-12(18)17-11-2-1-7-16-13(11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).