ethyl 6-butan-2-ylpyridine-3-carboxylate

C12H17NO2 — CID 143474264

IUPACethyl 6-butan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(C)CC)nc1
InChIInChI=1S/C12H17NO2/c1-4-9(3)11-7-6-10(8-13-11)12(14)15-5-2/h6-9H,4-5H2,1-3H3
InChIKeyXIHLWGLIFROPEQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.77
Rot. Bonds4

About ethyl 6-butan-2-ylpyridine-3-carboxylate

ethyl 6-butan-2-ylpyridine-3-carboxylate (PubChem CID 143474264) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 6-butan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-butan-2-ylpyridine-3-carboxylate
PubChem CID143474264
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 6-butan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(C)CC)nc1
InChIInChI=1S/C12H17NO2/c1-4-9(3)11-7-6-10(8-13-11)12(14)15-5-2/h6-9H,4-5H2,1-3H3
InChIKeyXIHLWGLIFROPEQ-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(1-diethoxyphosphoryl-3,3-dimethoxypropyl)pyridine-3-carboxylate
CID 18761556
ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
CID 178112074
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
6-[(1R)-1-ethoxyethyl]pyridine-3-carboxamide
CID 135044920
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939

Frequently Asked Questions

What is the IUPAC name of ethyl 6-butan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-butan-2-ylpyridine-3-carboxylate (CID 143474264) is ethyl 6-butan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-butan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-butan-2-ylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(C)CC)nc1.
What is the InChIKey of ethyl 6-butan-2-ylpyridine-3-carboxylate?
The InChIKey is XIHLWGLIFROPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(3)11-7-6-10(8-13-11)12(14)15-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 6-butan-2-ylpyridine-3-carboxylate?
ethyl 6-butan-2-ylpyridine-3-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-butan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 143474264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).