ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate

C14H23NO2 — CID 135075389

IUPACethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(C(C)(C)C)=CC=CC1CC
InChIInChI=1S/C14H23NO2/c1-6-11-9-8-10-12(14(3,4)5)15(11)13(16)17-7-2/h8-11H,6-7H2,1-5H3
InChIKeyRCRFXIZNYUXHIQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.72
Rot. Bonds2

About ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate

ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate (PubChem CID 135075389) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
PubChem CID135075389
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(C(C)(C)C)=CC=CC1CC
InChIInChI=1S/C14H23NO2/c1-6-11-9-8-10-12(14(3,4)5)15(11)13(16)17-7-2/h8-11H,6-7H2,1-5H3
InChIKeyRCRFXIZNYUXHIQ-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13551602
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ethyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
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methyl 6-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
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Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
ethyl 2-ethyl-2H-pyridine-1-carboxylate
CID 12955681
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
ethyl N-methyl-N-[(4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 21034840
ethyl 2,3-diethyl-4H-pyridine-1-carboxylate
CID 57136732
tert-butyl (2R)-3-ethenyl-5-methylidene-2-(tritiomethyl)-2H-pyrrole-1-carboxylate
CID 58135001

Frequently Asked Questions

What is the IUPAC name of ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate (CID 135075389) is ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C(C(C)(C)C)=CC=CC1CC.
What is the InChIKey of ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate?
The InChIKey is RCRFXIZNYUXHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-11-9-8-10-12(14(3,4)5)15(11)13(16)17-7-2/h8-11H,6-7H2,1-5H3.
What are the key properties of ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate?
ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 135075389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).