ethyl 3-propan-2-ylpyridine-4-carboxylate

C11H15NO2 — CID 131699762

IUPACethyl 3-propan-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1C(C)C
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)9-5-6-12-7-10(9)8(2)3/h5-8H,4H2,1-3H3
InChIKeyDAUCRVNRJGWYPC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.38
Rot. Bonds3

About ethyl 3-propan-2-ylpyridine-4-carboxylate

ethyl 3-propan-2-ylpyridine-4-carboxylate (PubChem CID 131699762) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-propan-2-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-propan-2-ylpyridine-4-carboxylate
PubChem CID131699762
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-propan-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1C(C)C
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)9-5-6-12-7-10(9)8(2)3/h5-8H,4H2,1-3H3
InChIKeyDAUCRVNRJGWYPC-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
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ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
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3-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)pyridine-4-carboxylic acid
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ethyl thieno[3,2-c]pyridine-3-carboxylate
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ethyl 1-amino-2,7-naphthyridine-4-carboxylate
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ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
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ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
CID 102503713
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
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ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-propan-2-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-propan-2-ylpyridine-4-carboxylate (CID 131699762) is ethyl 3-propan-2-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-propan-2-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-propan-2-ylpyridine-4-carboxylate is CCOC(=O)c1ccncc1C(C)C.
What is the InChIKey of ethyl 3-propan-2-ylpyridine-4-carboxylate?
The InChIKey is DAUCRVNRJGWYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-6-12-7-10(9)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-propan-2-ylpyridine-4-carboxylate?
ethyl 3-propan-2-ylpyridine-4-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-propan-2-ylpyridine-4-carboxylate is sourced from PubChem (CID 131699762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).