2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid

C14H11FN2O4 — CID 104785523

IUPAC2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C14H11FN2O4/c15-10-4-9(6-16-7-10)14(20)17-11-2-1-3-12(5-11)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyJYFVNMXKFAQBCL-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid

2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 104785523) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID104785523
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C14H11FN2O4/c15-10-4-9(6-16-7-10)14(20)17-11-2-1-3-12(5-11)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyJYFVNMXKFAQBCL-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-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
CID 61058223
2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
5-hydroxy-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 63860104

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid (CID 104785523) is 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cncc(F)c2)c1.
What is the InChIKey of 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JYFVNMXKFAQBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-10-4-9(6-16-7-10)14(20)17-11-2-1-3-12(5-11)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic 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 2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 104785523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).