ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate

C14H19NO2 — CID 116533542

IUPACethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(CC)nc1C1CC1
InChIInChI=1S/C14H19NO2/c1-4-12-9(3)8-11(14(16)17-5-2)13(15-12)10-6-7-10/h8,10H,4-7H2,1-3H3
InChIKeyWGECAPFSMRTRJN-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate

ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate (PubChem CID 116533542) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
PubChem CID116533542
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(CC)nc1C1CC1
InChIInChI=1S/C14H19NO2/c1-4-12-9(3)8-11(14(16)17-5-2)13(15-12)10-6-7-10/h8,10H,4-7H2,1-3H3
InChIKeyWGECAPFSMRTRJN-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116532881
ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116533555
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
ethyl 6-cyclopentyl-5-methyl-2-phenoxypyridine-3-carboxylate
CID 170718319
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
ethyl 2-(butan-2-ylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylate
CID 102973068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate (CID 116533542) is ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C)c(CC)nc1C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate?
The InChIKey is WGECAPFSMRTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12-9(3)8-11(14(16)17-5-2)13(15-12)10-6-7-10/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate?
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 116533542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).