ethyl 2-ethyl-2H-pyridine-1-carboxylate

C10H15NO2 — CID 12955681

IUPACethyl 2-ethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1CC
InChIInChI=1S/C10H15NO2/c1-3-9-7-5-6-8-11(9)10(12)13-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSDHSPCMRRHJBH-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.31
Rot. Bonds2

About ethyl 2-ethyl-2H-pyridine-1-carboxylate

ethyl 2-ethyl-2H-pyridine-1-carboxylate (PubChem CID 12955681) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2-ethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-2H-pyridine-1-carboxylate
PubChem CID12955681
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2-ethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1CC
InChIInChI=1S/C10H15NO2/c1-3-9-7-5-6-8-11(9)10(12)13-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDSDHSPCMRRHJBH-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.31
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-bromo-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382561
Ethyl pyridine-1(2H)-carboxylate
CID 12371301
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
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
(r,s)-2-Butyl-4-dimethylamino-2h-pyridine-1-carboxylic acid ethyl ester
CID 13551602
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-2H-pyridine-1-carboxylate (CID 12955681) is ethyl 2-ethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=CC1CC.
What is the InChIKey of ethyl 2-ethyl-2H-pyridine-1-carboxylate?
The InChIKey is DSDHSPCMRRHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9-7-5-6-8-11(9)10(12)13-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-2H-pyridine-1-carboxylate?
ethyl 2-ethyl-2H-pyridine-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12955681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).