methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate

C13H11FN2O3 — CID 68524349

IUPACmethyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
SMILESCOC(=O)c1ccc(Oc2ccc(N)cn2)c(F)c1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)8-2-4-11(10(14)6-8)19-12-5-3-9(15)7-16-12/h2-7H,15H2,1H3
InChIKeyGAGMWLPBSKGKLT-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.38
Rot. Bonds3

About methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate

methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate (PubChem CID 68524349) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
PubChem CID68524349
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
SMILESCOC(=O)c1ccc(Oc2ccc(N)cn2)c(F)c1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)8-2-4-11(10(14)6-8)19-12-5-3-9(15)7-16-12/h2-7H,15H2,1H3
InChIKeyGAGMWLPBSKGKLT-UHFFFAOYSA-N
XLogP2.38
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174431002
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
methyl 3-isocyano-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 123296320
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate?
The IUPAC name of methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate (CID 68524349) is methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate.
What is the SMILES notation for methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate?
The canonical SMILES for methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate is COC(=O)c1ccc(Oc2ccc(N)cn2)c(F)c1.
What is the InChIKey of methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate?
The InChIKey is GAGMWLPBSKGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-13(17)8-2-4-11(10(14)6-8)19-12-5-3-9(15)7-16-12/h2-7H,15H2,1H3.
What are the key properties of methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate?
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate has a molecular weight of 262.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate is sourced from PubChem (CID 68524349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).