3-(4-ethoxyphenyl)pyridine-2-carboxylic acid

C14H13NO3 — CID 82085089

IUPAC3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-11-7-5-10(6-8-11)12-4-3-9-15-13(12)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyLZKPQJQKOCTXOR-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid

3-(4-ethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 82085089) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID82085089
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
SMILESCCOc1ccc(-c2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-11-7-5-10(6-8-11)12-4-3-9-15-13(12)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyLZKPQJQKOCTXOR-UHFFFAOYSA-N
XLogP2.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpyridine-2-carboxylic acid
CID 2762789
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid (CID 82085089) is 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid is CCOc1ccc(-c2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is LZKPQJQKOCTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-11-7-5-10(6-8-11)12-4-3-9-15-13(12)14(16)17/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid?
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82085089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).