methyl 4-ethyl-4H-pyridine-1-carboxylate

C9H13NO2 — CID 12853362

IUPACmethyl 4-ethyl-4H-pyridine-1-carboxylate
SMILESCCC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C9H13NO2/c1-3-8-4-6-10(7-5-8)9(11)12-2/h4-8H,3H2,1-2H3
InChIKeySDKPMGVXWISRMG-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.12
Rot. Bonds1

About methyl 4-ethyl-4H-pyridine-1-carboxylate

methyl 4-ethyl-4H-pyridine-1-carboxylate (PubChem CID 12853362) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 4-ethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-4H-pyridine-1-carboxylate
PubChem CID12853362
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 4-ethyl-4H-pyridine-1-carboxylate
SMILESCCC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C9H13NO2/c1-3-8-4-6-10(7-5-8)9(11)12-2/h4-8H,3H2,1-2H3
InChIKeySDKPMGVXWISRMG-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1,2,3,4-tetrahydropyridine-1-carboxylate
CID 11469123
1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
methyl 4H-pyridine-1-carboxylate
CID 12220927
methyl 4-methyl-4H-pyridine-1-carboxylate
CID 12220932
methyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12853361
methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 13382555
methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 86116559
methyl 3-bromo-4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 134985765
Methyl 4,5-dihydroazepine-1-carboxylate
CID 15372615
4-Azabicyclo[5.1.0]octa-2,5-diene-4-carboxylic acid methyl ester
CID 71435944
propyl 4H-pyridine-1-carboxylate
CID 17998218
methyl 3-methyl-4-propyl-4H-pyridine-1-carboxylate
CID 59252735

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-ethyl-4H-pyridine-1-carboxylate (CID 12853362) is methyl 4-ethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-ethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-ethyl-4H-pyridine-1-carboxylate is CCC1C=CN(C(=O)OC)C=C1.
What is the InChIKey of methyl 4-ethyl-4H-pyridine-1-carboxylate?
The InChIKey is SDKPMGVXWISRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8-4-6-10(7-5-8)9(11)12-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-4H-pyridine-1-carboxylate?
methyl 4-ethyl-4H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 12853362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).