methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate

C13H11ClN2O3 — CID 59849870

IUPACmethyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)8-2-4-10(5-3-8)19-12-11(15)6-9(14)7-16-12/h2-7H,15H2,1H3
InChIKeyILKHQFLGHDJTGX-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.90
Rot. Bonds3

About methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate

methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate (PubChem CID 59849870) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
PubChem CID59849870
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)8-2-4-10(5-3-8)19-12-11(15)6-9(14)7-16-12/h2-7H,15H2,1H3
InChIKeyILKHQFLGHDJTGX-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

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Related Compounds

2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine
CID 89354876
methyl 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69417840
methyl 4-(5,6-diaminopyrimidin-4-yl)oxybenzoate
CID 22544690
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
methyl 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69419054
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate (CID 59849870) is methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2ncc(Cl)cc2N)cc1.
What is the InChIKey of methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate?
The InChIKey is ILKHQFLGHDJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-13(17)8-2-4-10(5-3-8)19-12-11(15)6-9(14)7-16-12/h2-7H,15H2,1H3.
What are the key properties of methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate?
methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate 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 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 59849870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).