methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate

C14H14N2O3 — CID 106955044

IUPACmethyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1ccncc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-11(15)8-13(12)19-9-10-4-6-16-7-5-10/h2-8H,9,15H2,1H3
InChIKeyRQQSQDWOZQEIRM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.03
Rot. Bonds4

About methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate

methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate (PubChem CID 106955044) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
PubChem CID106955044
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1ccncc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-11(15)8-13(12)19-9-10-4-6-16-7-5-10/h2-8H,9,15H2,1H3
InChIKeyRQQSQDWOZQEIRM-UHFFFAOYSA-N
XLogP2.03
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.03
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

methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 5-amino-2-[(4-bromophenyl)methoxy]benzoate
CID 82824196
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 106955381
methyl 4-amino-2-(3-amino-2-methyl-3-oxopropoxy)benzoate
CID 106954975
methyl 4-amino-2-(3-hydroxy-2-methylpropoxy)benzoate
CID 106955001

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate?
The IUPAC name of methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate (CID 106955044) is methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate.
What is the SMILES notation for methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate?
The canonical SMILES for methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate is COC(=O)c1ccc(N)cc1OCc1ccncc1.
What is the InChIKey of methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate?
The InChIKey is RQQSQDWOZQEIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)12-3-2-11(15)8-13(12)19-9-10-4-6-16-7-5-10/h2-8H,9,15H2,1H3.
What are the key properties of methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate?
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate has a molecular weight of 258.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate is sourced from PubChem (CID 106955044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).