2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid

C15H11FN2O3 — CID 107341578

IUPAC2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(COc2cccc(N)c2C(=O)O)c(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-6-9(7-17)4-5-10(11)8-21-13-3-1-2-12(18)14(13)15(19)20/h1-6H,8,18H2,(H,19,20)
InChIKeyMGAGSCQUIXNNSR-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.56
Rot. Bonds4

About 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid

2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid (PubChem CID 107341578) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
PubChem CID107341578
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
SMILESN#Cc1ccc(COc2cccc(N)c2C(=O)O)c(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-6-9(7-17)4-5-10(11)8-21-13-3-1-2-12(18)14(13)15(19)20/h1-6H,8,18H2,(H,19,20)
InChIKeyMGAGSCQUIXNNSR-UHFFFAOYSA-N
XLogP2.56
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic 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-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
3-fluoro-4-[(4-fluoro-2-formylphenoxy)methyl]benzonitrile
CID 107697217
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
8-[(4-cyano-2-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175482137
3-fluoro-4-[[2-(3-hydroxyprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60800589
2-amino-6-[(4-cyano-3-fluorophenoxy)methyl]benzoic acid
CID 104825540
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860
(4-cyano-2-fluorophenyl)methyl 2-amino-5-fluorobenzoate
CID 60731052

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid (CID 107341578) is 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid is N#Cc1ccc(COc2cccc(N)c2C(=O)O)c(F)c1.
What is the InChIKey of 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid?
The InChIKey is MGAGSCQUIXNNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-6-9(7-17)4-5-10(11)8-21-13-3-1-2-12(18)14(13)15(19)20/h1-6H,8,18H2,(H,19,20).
What are the key properties of 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid?
2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid has a molecular weight of 286.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 107341578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).