ethane;methyl 2-ethylpyridine-4-carboxylate

C11H17NO2 — CID 144656237

IUPACethane;methyl 2-ethylpyridine-4-carboxylate
SMILESCC.CCc1cc(C(=O)OC)ccn1
InChIInChI=1S/C9H11NO2.C2H6/c1-3-8-6-7(4-5-10-8)9(11)12-2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyWCEKOJFDCXOAIU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.46
Rot. Bonds2

About ethane;methyl 2-ethylpyridine-4-carboxylate

ethane;methyl 2-ethylpyridine-4-carboxylate (PubChem CID 144656237) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;methyl 2-ethylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-ethylpyridine-4-carboxylate
PubChem CID144656237
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;methyl 2-ethylpyridine-4-carboxylate
SMILESCC.CCc1cc(C(=O)OC)ccn1
InChIInChI=1S/C9H11NO2.C2H6/c1-3-8-6-7(4-5-10-8)9(11)12-2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyWCEKOJFDCXOAIU-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpyridine-4-carbonyl chloride
CID 45081393
methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate
CID 86661353
methyl 2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxylate
CID 15123252
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-[(3,5-ditert-butylphenyl)methyl]pyridine-4-carboxylate
CID 66731958
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxylate
CID 66732080
methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride
CID 157195099
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
(2-ethyl-4-pyridinyl)-sulfinylmethanamine
CID 71316501
methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
CID 162911096
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-ethylpyridine-4-carboxylate?
The IUPAC name of ethane;methyl 2-ethylpyridine-4-carboxylate (CID 144656237) is ethane;methyl 2-ethylpyridine-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-ethylpyridine-4-carboxylate?
The canonical SMILES for ethane;methyl 2-ethylpyridine-4-carboxylate is CC.CCc1cc(C(=O)OC)ccn1.
What is the InChIKey of ethane;methyl 2-ethylpyridine-4-carboxylate?
The InChIKey is WCEKOJFDCXOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-3-8-6-7(4-5-10-8)9(11)12-2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-ethylpyridine-4-carboxylate?
ethane;methyl 2-ethylpyridine-4-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-ethylpyridine-4-carboxylate is sourced from PubChem (CID 144656237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).