5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid

C15H15FN2O3 — CID 103174351

IUPAC5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid
SMILESCCc1nc(C)ccc1Oc1cc(F)c(C(=O)O)cc1N
InChIInChI=1S/C15H15FN2O3/c1-3-12-13(5-4-8(2)18-12)21-14-7-10(16)9(15(19)20)6-11(14)17/h4-7H,3,17H2,1-2H3,(H,19,20)
InChIKeyHAMQRMGXHBBZAL-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.16
Rot. Bonds4

About 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid

5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid (PubChem CID 103174351) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid
PubChem CID103174351
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid
SMILESCCc1nc(C)ccc1Oc1cc(F)c(C(=O)O)cc1N
InChIInChI=1S/C15H15FN2O3/c1-3-12-13(5-4-8(2)18-12)21-14-7-10(16)9(15(19)20)6-11(14)17/h4-7H,3,17H2,1-2H3,(H,19,20)
InChIKeyHAMQRMGXHBBZAL-UHFFFAOYSA-N
XLogP3.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic 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-Methoxy-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 3162138
3-{2-[6-(2-Carboxy-vinyl)-5-decyloxy-pyridin-2-yl]-1-hydroxy-ethyl}-benzoic acid
CID 9826485
3-{2-[6-(2-Carboxy-ethyl)-5-decyloxy-pyridin-2-yl]-1-hydroxy-ethyl}-benzoic acid
CID 14977894
3-(2-{6-(2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)-hexyloxy]-pyridin-2-yl}-1-hydroxy-ethyl)-benzoic acid
CID 14977898
3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylmethoxy]-benzoic acid
CID 14977907
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
4-Methoxy-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid
CID 6484552
8-(Difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
8-(Difluoromethoxy)-2-methylquinoline-5-carboxylic acid
CID 18002699
(2,6-Difluoro-3-pyridinyl) 4-heptoxybenzoate
CID 19765359
(2,6-Difluoro-3-pyridinyl) 4-hexoxybenzoate
CID 19765433
(2,6-Difluoro-3-pyridinyl) 4-propoxybenzoate
CID 19765519

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid?
The IUPAC name of 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid (CID 103174351) is 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid.
What is the SMILES notation for 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid?
The canonical SMILES for 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid is CCc1nc(C)ccc1Oc1cc(F)c(C(=O)O)cc1N.
What is the InChIKey of 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid?
The InChIKey is HAMQRMGXHBBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-12-13(5-4-8(2)18-12)21-14-7-10(16)9(15(19)20)6-11(14)17/h4-7H,3,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid?
5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-fluorobenzoic acid is sourced from PubChem (CID 103174351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).