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

C13H12N2O3 — CID 15057056

IUPACmethyl 2-[(4-amino-3-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1cnccc1N
InChIInChI=1S/C13H12N2O3/c1-17-13(16)9-4-2-3-5-11(9)18-12-8-15-7-6-10(12)14/h2-8H,1H3,(H2,14,15)
InChIKeyCRIJJLRCANIHSD-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.24
Rot. Bonds3

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

methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate (PubChem CID 15057056) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-pyridinyl)oxy]benzoate
PubChem CID15057056
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 2-[(4-amino-3-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1cnccc1N
InChIInChI=1S/C13H12N2O3/c1-17-13(16)9-4-2-3-5-11(9)18-12-8-15-7-6-10(12)14/h2-8H,1H3,(H2,14,15)
InChIKeyCRIJJLRCANIHSD-UHFFFAOYSA-N
XLogP2.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
methyl 2-(3-amino-2,6-difluorophenoxy)benzoate
CID 91424160
ethane;methyl 2-methoxybenzoate
CID 178037044
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(3-amino-4-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 62111629
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
methyl 3-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 139986316
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate (CID 15057056) is methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate is COC(=O)c1ccccc1Oc1cnccc1N.
What is the InChIKey of methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate?
The InChIKey is CRIJJLRCANIHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-13(16)9-4-2-3-5-11(9)18-12-8-15-7-6-10(12)14/h2-8H,1H3,(H2,14,15).
What are the key properties of methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate?
methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate has a molecular weight of 244.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 15057056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).