5-(2-ethylphenyl)pyridine-3-carboxylic acid

C14H13NO2 — CID 56715011

IUPAC5-(2-ethylphenyl)pyridine-3-carboxylic acid
SMILESCCc1ccccc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C14H13NO2/c1-2-10-5-3-4-6-13(10)11-7-12(14(16)17)9-15-8-11/h3-9H,2H2,1H3,(H,16,17)
InChIKeyVVVQVELYTGPXET-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.01
Rot. Bonds3

About 5-(2-ethylphenyl)pyridine-3-carboxylic acid

5-(2-ethylphenyl)pyridine-3-carboxylic acid (PubChem CID 56715011) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-ethylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylphenyl)pyridine-3-carboxylic acid
PubChem CID56715011
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-(2-ethylphenyl)pyridine-3-carboxylic acid
SMILESCCc1ccccc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C14H13NO2/c1-2-10-5-3-4-6-13(10)11-7-12(14(16)17)9-15-8-11/h3-9H,2H2,1H3,(H,16,17)
InChIKeyVVVQVELYTGPXET-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid
CID 53445769
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
3-[2-(hydroxymethyl)phenyl]-5-(2H-tetrazol-5-yl)benzoic acid
CID 68731287
5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
CID 22135397
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-ethylphenyl)pyridine-3-carboxylic acid (CID 56715011) is 5-(2-ethylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-ethylphenyl)pyridine-3-carboxylic acid is CCc1ccccc1-c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-ethylphenyl)pyridine-3-carboxylic acid?
The InChIKey is VVVQVELYTGPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-10-5-3-4-6-13(10)11-7-12(14(16)17)9-15-8-11/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 5-(2-ethylphenyl)pyridine-3-carboxylic acid?
5-(2-ethylphenyl)pyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56715011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).