ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate

C12H21NO2 — CID 91229673

IUPACethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
SMILESCC.CCOC(=O)N1C=CC(C)=CC1C
InChIInChI=1S/C10H15NO2.C2H6/c1-4-13-10(12)11-6-5-8(2)7-9(11)3;1-2/h5-7,9H,4H2,1-3H3;1-2H3
InChIKeyKUQHASJSTGOYAW-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.33
Rot. Bonds1

About ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate

ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate (PubChem CID 91229673) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
PubChem CID91229673
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
SMILESCC.CCOC(=O)N1C=CC(C)=CC1C
InChIInChI=1S/C10H15NO2.C2H6/c1-4-13-10(12)11-6-5-8(2)7-9(11)3;1-2/h5-7,9H,4H2,1-3H3;1-2H3
InChIKeyKUQHASJSTGOYAW-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.33
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-ethyl-1(6H)-pyridinecarboxylate
CID 12565505
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
(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 2-cyanopyridine-1(2H)-carboxylate
CID 13397701
Ethyl 2,5-dimethylazepine-1-carboxylate
CID 21821144
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164
Ethyl 3,6-dimethylazepine-1-carboxylate
CID 86001822
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate (CID 91229673) is ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate is CC.CCOC(=O)N1C=CC(C)=CC1C.
What is the InChIKey of ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate?
The InChIKey is KUQHASJSTGOYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-4-13-10(12)11-6-5-8(2)7-9(11)3;1-2/h5-7,9H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate?
ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 91229673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).