4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid

C13H15NO3 — CID 175989706

IUPAC4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid
SMILESC=C(OCC)c1nccc(C2CC2)c1C(=O)O
InChIInChI=1S/C13H15NO3/c1-3-17-8(2)12-11(13(15)16)10(6-7-14-12)9-4-5-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyWBOBICOJUNXQCG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.66
Rot. Bonds5

About 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid

4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid (PubChem CID 175989706) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid
PubChem CID175989706
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid
SMILESC=C(OCC)c1nccc(C2CC2)c1C(=O)O
InChIInChI=1S/C13H15NO3/c1-3-17-8(2)12-11(13(15)16)10(6-7-14-12)9-4-5-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyWBOBICOJUNXQCG-UHFFFAOYSA-N
XLogP2.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclopropylbenzoate
CID 118105330
4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
CID 135337046
ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
CID 142471167
4-cyclopentyl-3-methoxypyridine-2-carboxamide
CID 172740996
3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
CID 175064916
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 134203331
ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 142752041
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethane;ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 145448638
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
CID 146470863
ethyl 4-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxylate
CID 58484998

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid (CID 175989706) is 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid is C=C(OCC)c1nccc(C2CC2)c1C(=O)O.
What is the InChIKey of 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid?
The InChIKey is WBOBICOJUNXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-8(2)12-11(13(15)16)10(6-7-14-12)9-4-5-9/h6-7,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid?
4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-ethoxyethenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 175989706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).