ethyl 3-amino-2-chloro-4-methoxybenzoate

C10H12ClNO3 — CID 166071385

IUPACethyl 3-amino-2-chloro-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(N)c1Cl
InChIInChI=1S/C10H12ClNO3/c1-3-15-10(13)6-4-5-7(14-2)9(12)8(6)11/h4-5H,3,12H2,1-2H3
InChIKeyYGGQQJBBZDKCOD-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.11
Rot. Bonds3

About ethyl 3-amino-2-chloro-4-methoxybenzoate

ethyl 3-amino-2-chloro-4-methoxybenzoate (PubChem CID 166071385) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethyl 3-amino-2-chloro-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-chloro-4-methoxybenzoate
PubChem CID166071385
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethyl 3-amino-2-chloro-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(N)c1Cl
InChIInChI=1S/C10H12ClNO3/c1-3-15-10(13)6-4-5-7(14-2)9(12)8(6)11/h4-5H,3,12H2,1-2H3
InChIKeyYGGQQJBBZDKCOD-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 4-amino-3-bromo-2-chlorobenzoate
CID 171016631
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
methyl 3-amino-2-chloro-4-(trifluoromethoxy)benzoate
CID 134645548
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-chloro-4-methoxybenzoate?
The IUPAC name of ethyl 3-amino-2-chloro-4-methoxybenzoate (CID 166071385) is ethyl 3-amino-2-chloro-4-methoxybenzoate.
What is the SMILES notation for ethyl 3-amino-2-chloro-4-methoxybenzoate?
The canonical SMILES for ethyl 3-amino-2-chloro-4-methoxybenzoate is CCOC(=O)c1ccc(OC)c(N)c1Cl.
What is the InChIKey of ethyl 3-amino-2-chloro-4-methoxybenzoate?
The InChIKey is YGGQQJBBZDKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-15-10(13)6-4-5-7(14-2)9(12)8(6)11/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 3-amino-2-chloro-4-methoxybenzoate?
ethyl 3-amino-2-chloro-4-methoxybenzoate has a molecular weight of 229.66 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-chloro-4-methoxybenzoate is sourced from PubChem (CID 166071385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).