2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid

C19H14FN3O5 — CID 59852905

IUPAC2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid
SMILESNc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H14FN3O5/c20-14-10-13(23(26)27)5-6-15(14)28-16-7-8-22-19(21)18(16)12-3-1-11(2-4-12)9-17(24)25/h1-8,10H,9H2,(H2,21,22)(H,24,25)
InChIKeyPBHUUFIFCRYBKP-UHFFFAOYSA-N
MW383.34 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid

2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid (PubChem CID 59852905) has the molecular formula C19H14FN3O5 and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid
PubChem CID59852905
Molecular FormulaC19H14FN3O5
Molecular Weight383.34 g/mol
Exact Mass383.09
IUPAC Name2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid
SMILESNc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H14FN3O5/c20-14-10-13(23(26)27)5-6-15(14)28-16-7-8-22-19(21)18(16)12-3-1-11(2-4-12)9-17(24)25/h1-8,10H,9H2,(H2,21,22)(H,24,25)
InChIKeyPBHUUFIFCRYBKP-UHFFFAOYSA-N
XLogP3.80
TPSA128.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
CID 61038327
2-[4-(chloromethyl)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;hexan-2-one
CID 123568430
tert-butyl N-cyclopropyl-N-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]phenyl]methyl]carbamate
CID 59684979
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid (CID 59852905) is 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid is Nc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid?
The InChIKey is PBHUUFIFCRYBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5/c20-14-10-13(23(26)27)5-6-15(14)28-16-7-8-22-19(21)18(16)12-3-1-11(2-4-12)9-17(24)25/h1-8,10H,9H2,(H2,21,22)(H,24,25).
What are the key properties of 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid?
2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid has a molecular weight of 383.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 59852905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).