ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate

C15H21NO2 — CID 116533815

IUPACethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CC2)nc1C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-18-14(17)11-8-9-12(10-6-7-10)16-13(11)15(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyRMUDAKBSUZPEHM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.43
Rot. Bonds3

About ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate

ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate (PubChem CID 116533815) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
PubChem CID116533815
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CC2)nc1C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-5-18-14(17)11-8-9-12(10-6-7-10)16-13(11)15(2,3)4/h8-10H,5-7H2,1-4H3
InChIKeyRMUDAKBSUZPEHM-UHFFFAOYSA-N
XLogP3.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116533555
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928
ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate (CID 116533815) is ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate is CCOC(=O)c1ccc(C2CC2)nc1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate?
The InChIKey is RMUDAKBSUZPEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-18-14(17)11-8-9-12(10-6-7-10)16-13(11)15(2,3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate?
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 116533815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).