methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate

C14H15N3O4 — CID 82940255

IUPACmethyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate
SMILESCOC(=O)c1c(N)ccc(OC)c1Oc1ccc(C)nn1
InChIInChI=1S/C14H15N3O4/c1-8-4-7-11(17-16-8)21-13-10(19-2)6-5-9(15)12(13)14(18)20-3/h4-7H,15H2,1-3H3
InChIKeyAAVCMPZZZHKNHC-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.95
Rot. Bonds4

About methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate

methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate (PubChem CID 82940255) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate
PubChem CID82940255
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate
SMILESCOC(=O)c1c(N)ccc(OC)c1Oc1ccc(C)nn1
InChIInChI=1S/C14H15N3O4/c1-8-4-7-11(17-16-8)21-13-10(19-2)6-5-9(15)12(13)14(18)20-3/h4-7H,15H2,1-3H3
InChIKeyAAVCMPZZZHKNHC-UHFFFAOYSA-N
XLogP1.95
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl)hydrazono]propanoate
CID 11840218
ethyl (2E)-2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate
CID 22307410
2,3-butanedione 2-[(8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl)hydrazone]
CID 45034929
3-Methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395740
Ethyl 2-[(8-methoxy-4-oxo-2,3-dihydrochromen-5-yl)hydrazinylidene]propanoate
CID 71966752
8-Methoxy-5-[2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one
CID 76396053
2-(6-Carbamoylpyridazin-3-yl)oxy-3-methoxybenzoic acid
CID 80338517
6-Amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 82950207
2-(6-Methylpyridazin-3-yl)oxy-6-nitrobenzoic acid
CID 107342054
[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl] 2-methoxybenzoate
CID 125542958

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate?
The IUPAC name of methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate (CID 82940255) is methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate.
What is the SMILES notation for methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate?
The canonical SMILES for methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate is COC(=O)c1c(N)ccc(OC)c1Oc1ccc(C)nn1.
What is the InChIKey of methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate?
The InChIKey is AAVCMPZZZHKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-4-7-11(17-16-8)21-13-10(19-2)6-5-9(15)12(13)14(18)20-3/h4-7H,15H2,1-3H3.
What are the key properties of methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate?
methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate has a molecular weight of 289.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate is sourced from PubChem (CID 82940255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).