methyl 5-ethylpyridine-3-carboxylate

C9H11NO2 — CID 5323747

IUPACmethyl 5-ethylpyridine-3-carboxylate
SMILESCCc1cncc(C(=O)OC)c1
InChIInChI=1S/C9H11NO2/c1-3-7-4-8(6-10-5-7)9(11)12-2/h4-6H,3H2,1-2H3
InChIKeySVJRFDLLBQTDOV-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.43
Rot. Bonds2

About methyl 5-ethylpyridine-3-carboxylate

methyl 5-ethylpyridine-3-carboxylate (PubChem CID 5323747) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 5-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylpyridine-3-carboxylate
PubChem CID5323747
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 5-ethylpyridine-3-carboxylate
SMILESCCc1cncc(C(=O)OC)c1
InChIInChI=1S/C9H11NO2/c1-3-7-4-8(6-10-5-7)9(11)12-2/h4-6H,3H2,1-2H3
InChIKeySVJRFDLLBQTDOV-UHFFFAOYSA-N
XLogP1.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
CID 55266237
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
2-amino-1-(5-ethyl-3-pyridinyl)ethanone
CID 84651885
N-cyano-5-ethylpyridine-3-carboxamide
CID 167157343
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
methyl 5-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyridine-3-carboxylate
CID 135258489
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
CID 66684512
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylpyridine-3-carboxylate?
The IUPAC name of methyl 5-ethylpyridine-3-carboxylate (CID 5323747) is methyl 5-ethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethylpyridine-3-carboxylate is CCc1cncc(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethylpyridine-3-carboxylate?
The InChIKey is SVJRFDLLBQTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-7-4-8(6-10-5-7)9(11)12-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 5-ethylpyridine-3-carboxylate?
methyl 5-ethylpyridine-3-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylpyridine-3-carboxylate is sourced from PubChem (CID 5323747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).