methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate

C13H11FN2O3 — CID 23153051

IUPACmethyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)12-7-9(4-5-16-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3
InChIKeyVEGPTDTUUANRPV-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.38
Rot. Bonds3

About methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate

methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate (PubChem CID 23153051) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
PubChem CID23153051
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C13H11FN2O3/c1-18-13(17)12-7-9(4-5-16-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3
InChIKeyVEGPTDTUUANRPV-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
CID 91282385
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
CID 66287690
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate (CID 23153051) is methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate is COC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1.
What is the InChIKey of methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate?
The InChIKey is VEGPTDTUUANRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-13(17)12-7-9(4-5-16-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3.
What are the key properties of methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate?
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate 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-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 23153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).