4-(5-ethoxy-2-pyridinyl)benzoic acid

C14H13NO3 — CID 110282358

IUPAC4-(5-ethoxy-2-pyridinyl)benzoic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13NO3/c1-2-18-12-7-8-13(15-9-12)10-3-5-11(6-4-10)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyRAFJODWNNOVQDK-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.85
Rot. Bonds4

About 4-(5-ethoxy-2-pyridinyl)benzoic acid

4-(5-ethoxy-2-pyridinyl)benzoic acid (PubChem CID 110282358) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(5-ethoxy-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-ethoxy-2-pyridinyl)benzoic acid
PubChem CID110282358
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(5-ethoxy-2-pyridinyl)benzoic acid
SMILESCCOc1ccc(-c2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13NO3/c1-2-18-12-7-8-13(15-9-12)10-3-5-11(6-4-10)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyRAFJODWNNOVQDK-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

6-(4-pentoxyphenyl)pyridine-3-carboxylic acid
CID 12576503
6-(4-hexoxyphenyl)pyridine-3-carboxylic acid
CID 12576504
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
CID 19841825
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
[4-(5-ethoxy-2-pyridinyl)phenyl] 4-[11-(2-methylprop-2-enoyloxy)undecoxy]benzoate
CID 19810017
[4-(5-ethoxy-2-pyridinyl)phenyl] 4-(9-prop-2-enoyloxynonoxy)benzoate
CID 19809963
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
6-[5-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-5-[6-(5-carboxy-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 155051677

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-ethoxy-2-pyridinyl)benzoic acid (CID 110282358) is 4-(5-ethoxy-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-ethoxy-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-ethoxy-2-pyridinyl)benzoic acid is CCOc1ccc(-c2ccc(C(=O)O)cc2)nc1.
What is the InChIKey of 4-(5-ethoxy-2-pyridinyl)benzoic acid?
The InChIKey is RAFJODWNNOVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-12-7-8-13(15-9-12)10-3-5-11(6-4-10)14(16)17/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 4-(5-ethoxy-2-pyridinyl)benzoic acid?
4-(5-ethoxy-2-pyridinyl)benzoic 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 4-(5-ethoxy-2-pyridinyl)benzoic acid is sourced from PubChem (CID 110282358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).