methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate

C14H14N2O3 — CID 62058841

IUPACmethyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cc(Oc2ccc(C)nc2)ccc1N
InChIInChI=1S/C14H14N2O3/c1-9-3-4-11(8-16-9)19-10-5-6-13(15)12(7-10)14(17)18-2/h3-8H,15H2,1-2H3
InChIKeyUDNBEZAKDSULTD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.55
Rot. Bonds3

About methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate

methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate (PubChem CID 62058841) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
PubChem CID62058841
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1cc(Oc2ccc(C)nc2)ccc1N
InChIInChI=1S/C14H14N2O3/c1-9-3-4-11(8-16-9)19-10-5-6-13(15)12(7-10)14(17)18-2/h3-8H,15H2,1-2H3
InChIKeyUDNBEZAKDSULTD-UHFFFAOYSA-N
XLogP2.55
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.55
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 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-amino-5-(2,3,6-trimethylphenoxy)benzoate
CID 63423643
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059327
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate (CID 62058841) is methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate is COC(=O)c1cc(Oc2ccc(C)nc2)ccc1N.
What is the InChIKey of methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The InChIKey is UDNBEZAKDSULTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-4-11(8-16-9)19-10-5-6-13(15)12(7-10)14(17)18-2/h3-8H,15H2,1-2H3.
What are the key properties of methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate has a molecular weight of 258.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 62058841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).