5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid

C16H17NO4 — CID 53223715

IUPAC5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2cnc(OC)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C16H17NO4/c1-4-21-12-5-6-13(10(2)7-12)11-8-14(16(18)19)15(20-3)17-9-11/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyCHENFLQHNTWNBD-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.16
Rot. Bonds5

About 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid

5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid (PubChem CID 53223715) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
PubChem CID53223715
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2cnc(OC)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C16H17NO4/c1-4-21-12-5-6-13(10(2)7-12)11-8-14(16(18)19)15(20-3)17-9-11/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyCHENFLQHNTWNBD-UHFFFAOYSA-N
XLogP3.16
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid
CID 134412918
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid (CID 53223715) is 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid is CCOc1ccc(-c2cnc(OC)c(C(=O)O)c2)c(C)c1.
What is the InChIKey of 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid?
The InChIKey is CHENFLQHNTWNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-21-12-5-6-13(10(2)7-12)11-8-14(16(18)19)15(20-3)17-9-11/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid?
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 53223715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).