methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate

C13H11ClN2O3 — CID 107197176

IUPACmethyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1Oc1cccnc1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)10-5-8(15)6-11(14)12(10)19-9-3-2-4-16-7-9/h2-7H,15H2,1H3
InChIKeyIDMLKRXFZMAXCD-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.90
Rot. Bonds3

About methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate

methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate (PubChem CID 107197176) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
PubChem CID107197176
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1Oc1cccnc1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)10-5-8(15)6-11(14)12(10)19-9-3-2-4-16-7-9/h2-7H,15H2,1H3
InChIKeyIDMLKRXFZMAXCD-UHFFFAOYSA-N
XLogP2.90
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.90
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 5-amino-3-chloro-2-(4-ethylphenoxy)benzoate
CID 107197223
methyl 5-amino-3-chloro-2-[4-(hydroxymethyl)phenoxy]benzoate
CID 107197740
methyl 5-amino-3-chloro-2-[methyl(pyridin-3-ylmethyl)amino]benzoate
CID 107194183
methyl 5-amino-2-(3-bromo-4-fluorophenoxy)-3-chlorobenzoate
CID 107198122
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 107198187
methyl 5-amino-3-chloro-2-(2-cyanophenoxy)benzoate
CID 107197335
methyl 5-amino-3-chloro-2-(4-fluoro-2-methylphenoxy)benzoate
CID 107198080
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
CID 107197944
methyl 5-amino-3-chloro-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 107194225
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate (CID 107197176) is methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate is COC(=O)c1cc(N)cc(Cl)c1Oc1cccnc1.
What is the InChIKey of methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate?
The InChIKey is IDMLKRXFZMAXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-13(17)10-5-8(15)6-11(14)12(10)19-9-3-2-4-16-7-9/h2-7H,15H2,1H3.
What are the key properties of methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate?
methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate has a molecular weight of 278.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate is sourced from PubChem (CID 107197176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).