6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid

C15H15NO3 — CID 53223705

IUPAC6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-3-19-12-5-6-13(10(2)8-12)14-7-4-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyFDTPTMJABVSCRN-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.15
Rot. Bonds4

About 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid

6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 53223705) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
PubChem CID53223705
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-3-19-12-5-6-13(10(2)8-12)14-7-4-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyFDTPTMJABVSCRN-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
CID 58639644
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine
CID 135234572
6-(4-pentoxyphenyl)pyridine-3-carboxylic acid
CID 12576503
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid (CID 53223705) is 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid is CCOc1ccc(-c2ccc(C(=O)O)cn2)c(C)c1.
What is the InChIKey of 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is FDTPTMJABVSCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-19-12-5-6-13(10(2)8-12)14-7-4-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid?
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).