methyl 2-ethyl-2H-pyridine-1-carboxylate

C9H13NO2 — CID 12853359

IUPACmethyl 2-ethyl-2H-pyridine-1-carboxylate
SMILESCCC1C=CC=CN1C(=O)OC
InChIInChI=1S/C9H13NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-8H,3H2,1-2H3
InChIKeyLPUQNXOLUJPKML-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds1

About methyl 2-ethyl-2H-pyridine-1-carboxylate

methyl 2-ethyl-2H-pyridine-1-carboxylate (PubChem CID 12853359) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 2-ethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-2H-pyridine-1-carboxylate
PubChem CID12853359
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 2-ethyl-2H-pyridine-1-carboxylate
SMILESCCC1C=CC=CN1C(=O)OC
InChIInChI=1S/C9H13NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-8H,3H2,1-2H3
InChIKeyLPUQNXOLUJPKML-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
methyl 3-bromo-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382561
methyl 3-ethyl-1(6H)-pyridinecarboxylate
CID 12565505
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
(r,s)-2-Vinyl-2h-pyridine-1-carboxylic acid methyl ester
CID 12853365
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
Ethyl-1-methoxycarbonyl-4-pyridinium iodide
CID 129655271
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
ethyl (3aR,7aR)-3a,7a-dihydroindole-1-carboxylate
CID 134915718

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-ethyl-2H-pyridine-1-carboxylate (CID 12853359) is methyl 2-ethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-2H-pyridine-1-carboxylate is CCC1C=CC=CN1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2H-pyridine-1-carboxylate?
The InChIKey is LPUQNXOLUJPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-2H-pyridine-1-carboxylate?
methyl 2-ethyl-2H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).