methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate

C16H16ClNO4 — CID 91190692

IUPACmethyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCc1ccc(Cl)cn1
InChIInChI=1S/C16H16ClNO4/c1-20-13-5-6-14(16(19)21-2)15(9-13)22-8-7-12-4-3-11(17)10-18-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyTWWKAMISKLSMKD-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate

methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate (PubChem CID 91190692) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
PubChem CID91190692
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Namemethyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCc1ccc(Cl)cn1
InChIInChI=1S/C16H16ClNO4/c1-20-13-5-6-14(16(19)21-2)15(9-13)22-8-7-12-4-3-11(17)10-18-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyTWWKAMISKLSMKD-UHFFFAOYSA-N
XLogP3.15
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate 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

2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
CID 4795346
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
CID 52891591
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate (CID 91190692) is methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCCc1ccc(Cl)cn1.
What is the InChIKey of methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate?
The InChIKey is TWWKAMISKLSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-13-5-6-14(16(19)21-2)15(9-13)22-8-7-12-4-3-11(17)10-18-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate?
methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate has a molecular weight of 321.76 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate is sourced from PubChem (CID 91190692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).