ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate

C15H15ClN2O3 — CID 106955381

IUPACethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCc1ccncc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-2-20-15(19)12-4-3-11(17)7-14(12)21-9-10-5-6-18-8-13(10)16/h3-8H,2,9,17H2,1H3
InChIKeyTWWWOVFWFTWHHQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.07
Rot. Bonds5

About ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate

ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate (PubChem CID 106955381) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
PubChem CID106955381
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Nameethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCc1ccncc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-2-20-15(19)12-4-3-11(17)7-14(12)21-9-10-5-6-18-8-13(10)16/h3-8H,2,9,17H2,1H3
InChIKeyTWWWOVFWFTWHHQ-UHFFFAOYSA-N
XLogP3.07
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The IUPAC name of ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate (CID 106955381) is ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate is CCOC(=O)c1ccc(N)cc1OCc1ccncc1Cl.
What is the InChIKey of ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The InChIKey is TWWWOVFWFTWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-20-15(19)12-4-3-11(17)7-14(12)21-9-10-5-6-18-8-13(10)16/h3-8H,2,9,17H2,1H3.
What are the key properties of ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate?
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate has a molecular weight of 306.75 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 106955381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).