ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate

C11H17NO2 — CID 86742392

IUPACethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C)C(C)=C1C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)12-7-6-8(2)9(3)10(12)4/h6-8H,5H2,1-4H3
InChIKeyNDSXQMBXDZZUEI-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.90
Rot. Bonds1

About ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate

ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate (PubChem CID 86742392) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate
PubChem CID86742392
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C)C(C)=C1C
InChIInChI=1S/C11H17NO2/c1-5-14-11(13)12-7-6-8(2)9(3)10(12)4/h6-8H,5H2,1-4H3
InChIKeyNDSXQMBXDZZUEI-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2,5-di(propan-2-yl)azepine-1-carboxylate
CID 10376792
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
Ethyl 2,5-ditert-butylazepine-1-carboxylate
CID 134915596
Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2-methyl-4H-pyridine-1-carboxylate
CID 13191056
ethyl 4-tert-butyl-2,3-dimethyl-1(4H)-pyridinecarboxylate
CID 21295837
ethyl 2,3-diethyl-4H-pyridine-1-carboxylate
CID 57136732
ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 91229673
ethyl N-methyl-N-[(1E)-3-methylhexa-1,5-dienyl]carbamate
CID 10797991
tert-butyl 2,4-dimethyl-4H-pyridine-1-carboxylate
CID 11020124
ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate
CID 12955683
Ethyl 4-(prop-2-en-1-yl)pyridine-1(4H)-carboxylate
CID 13427483

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate (CID 86742392) is ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C)C(C)=C1C.
What is the InChIKey of ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate?
The InChIKey is NDSXQMBXDZZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-14-11(13)12-7-6-8(2)9(3)10(12)4/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate?
ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,4-trimethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 86742392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).