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

C14H13NO3 — CID 50999400

IUPAC2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-12-5-3-10(4-6-12)13-9-11(14(16)17)7-8-15-13/h3-9H,2H2,1H3,(H,16,17)
InChIKeyPBJZMAKVWQLHNA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.85
Rot. Bonds4

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

2-(4-ethoxyphenyl)pyridine-4-carboxylic acid (PubChem CID 50999400) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
PubChem CID50999400
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-12-5-3-10(4-6-12)13-9-11(14(16)17)7-8-15-13/h3-9H,2H2,1H3,(H,16,17)
InChIKeyPBJZMAKVWQLHNA-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

2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid (CID 50999400) is 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is PBJZMAKVWQLHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-12-5-3-10(4-6-12)13-9-11(14(16)17)7-8-15-13/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid?
2-(4-ethoxyphenyl)pyridine-4-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 2-(4-ethoxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 50999400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).