methyl 2-amino-3-cyano-6-methoxybenzoate

C10H10N2O3 — CID 178130883

IUPACmethyl 2-amino-3-cyano-6-methoxybenzoate
SMILESCOC(=O)c1c(OC)ccc(C#N)c1N
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6(5-11)9(12)8(7)10(13)15-2/h3-4H,12H2,1-2H3
InChIKeyUYRTYQFCRZIOSM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-amino-3-cyano-6-methoxybenzoate

methyl 2-amino-3-cyano-6-methoxybenzoate (PubChem CID 178130883) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-amino-3-cyano-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyano-6-methoxybenzoate
PubChem CID178130883
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-amino-3-cyano-6-methoxybenzoate
SMILESCOC(=O)c1c(OC)ccc(C#N)c1N
InChIInChI=1S/C10H10N2O3/c1-14-7-4-3-6(5-11)9(12)8(7)10(13)15-2/h3-4H,12H2,1-2H3
InChIKeyUYRTYQFCRZIOSM-UHFFFAOYSA-N
XLogP0.94
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.94
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-6-bromo-3-cyanobenzoate
CID 171023287
methyl 2-(chloromethyl)-3-cyano-6-methoxybenzoate
CID 131374941
methyl 3-cyano-4-hydroxybenzoate;methyl 3-cyano-4-methoxybenzoate
CID 67553335
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
methyl 2-amino-3-cyano-5-hydroxy-6-methylbenzoate
CID 71715800
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
ethyl 2,6-diamino-3-cyanobenzoate
CID 134651442
methyl 6-cyano-2-methoxy-3-sulfanylbenzoate
CID 134647877
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913
methyl 3-amino-4-cyano-1-(3-iodo-4-methoxyphenyl)pyrrole-2-carboxylate
CID 168545828

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyano-6-methoxybenzoate?
The IUPAC name of methyl 2-amino-3-cyano-6-methoxybenzoate (CID 178130883) is methyl 2-amino-3-cyano-6-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-3-cyano-6-methoxybenzoate?
The canonical SMILES for methyl 2-amino-3-cyano-6-methoxybenzoate is COC(=O)c1c(OC)ccc(C#N)c1N.
What is the InChIKey of methyl 2-amino-3-cyano-6-methoxybenzoate?
The InChIKey is UYRTYQFCRZIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-7-4-3-6(5-11)9(12)8(7)10(13)15-2/h3-4H,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-cyano-6-methoxybenzoate?
methyl 2-amino-3-cyano-6-methoxybenzoate has a molecular weight of 206.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyano-6-methoxybenzoate is sourced from PubChem (CID 178130883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).