methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate

C14H13ClN2O3 — CID 107341776

IUPACmethyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1ccncc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-19-14(18)13-11(16)3-2-4-12(13)20-8-9-5-6-17-7-10(9)15/h2-7H,8,16H2,1H3
InChIKeyWKZQCVHPNCESKI-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate

methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate (PubChem CID 107341776) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
PubChem CID107341776
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Namemethyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1ccncc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-19-14(18)13-11(16)3-2-4-12(13)20-8-9-5-6-17-7-10(9)15/h2-7H,8,16H2,1H3
InChIKeyWKZQCVHPNCESKI-UHFFFAOYSA-N
XLogP2.68
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-6-[(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 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
2-[(3-chloro-4-pyridinyl)methoxy]-6-nitrobenzoic acid
CID 107341394
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The IUPAC name of methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate (CID 107341776) is methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The canonical SMILES for methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate is COC(=O)c1c(N)cccc1OCc1ccncc1Cl.
What is the InChIKey of methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate?
The InChIKey is WKZQCVHPNCESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-19-14(18)13-11(16)3-2-4-12(13)20-8-9-5-6-17-7-10(9)15/h2-7H,8,16H2,1H3.
What are the key properties of methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate?
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate has a molecular weight of 292.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 107341776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).