methyl 6-ethylpyridine-2-carboxylate;propane

C12H19NO2 — CID 142320367

IUPACmethyl 6-ethylpyridine-2-carboxylate;propane
SMILESCCC.CCc1cccc(C(=O)OC)n1
InChIInChI=1S/C9H11NO2.C3H8/c1-3-7-5-4-6-8(10-7)9(11)12-2;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3
InChIKeyIBTXQYHXRDFCON-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.85
Rot. Bonds2

About methyl 6-ethylpyridine-2-carboxylate;propane

methyl 6-ethylpyridine-2-carboxylate;propane (PubChem CID 142320367) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 6-ethylpyridine-2-carboxylate;propane.

Molecular Properties

Compound Namemethyl 6-ethylpyridine-2-carboxylate;propane
PubChem CID142320367
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 6-ethylpyridine-2-carboxylate;propane
SMILESCCC.CCc1cccc(C(=O)OC)n1
InChIInChI=1S/C9H11NO2.C3H8/c1-3-7-5-4-6-8(10-7)9(11)12-2;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3
InChIKeyIBTXQYHXRDFCON-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-(methylsulfanylmethylsulfanylmethyl)pyridine-2-carboxylate
CID 175489216
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
CID 143474444
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
CID 158087164
CID 158087164
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethylpyridine-2-carboxylate;propane?
The IUPAC name of methyl 6-ethylpyridine-2-carboxylate;propane (CID 142320367) is methyl 6-ethylpyridine-2-carboxylate;propane.
What is the SMILES notation for methyl 6-ethylpyridine-2-carboxylate;propane?
The canonical SMILES for methyl 6-ethylpyridine-2-carboxylate;propane is CCC.CCc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-ethylpyridine-2-carboxylate;propane?
The InChIKey is IBTXQYHXRDFCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C3H8/c1-3-7-5-4-6-8(10-7)9(11)12-2;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of methyl 6-ethylpyridine-2-carboxylate;propane?
methyl 6-ethylpyridine-2-carboxylate;propane has a molecular weight of 209.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethylpyridine-2-carboxylate;propane is sourced from PubChem (CID 142320367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).