4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid

C16H17NO5 — CID 122564734

IUPAC4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
SMILESCCOc1ncccc1-c1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C16H17NO5/c1-4-22-15-11(6-5-7-17-15)14-12(20-2)8-10(16(18)19)9-13(14)21-3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyAQUBHSJUOCTTIY-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.86
Rot. Bonds6

About 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid

4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid (PubChem CID 122564734) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
PubChem CID122564734
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid
SMILESCCOc1ncccc1-c1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C16H17NO5/c1-4-22-15-11(6-5-7-17-15)14-12(20-2)8-10(16(18)19)9-13(14)21-3/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyAQUBHSJUOCTTIY-UHFFFAOYSA-N
XLogP2.86
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid 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-ethoxy-3-(3-methoxy-4-pyridinyl)pyridine
CID 162633135
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid (CID 122564734) is 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid is CCOc1ncccc1-c1c(OC)cc(C(=O)O)cc1OC.
What is the InChIKey of 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid?
The InChIKey is AQUBHSJUOCTTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-22-15-11(6-5-7-17-15)14-12(20-2)8-10(16(18)19)9-13(14)21-3/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid?
4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid has a molecular weight of 303.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-3-pyridinyl)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 122564734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).