ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate

C10H15NO2 — CID 13415531

IUPACethyl 2,3-dimethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=C(C)C1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)11-7-5-6-8(2)9(11)3/h5-7,9H,4H2,1-3H3
InChIKeyKOLSWEFHAJRFGQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.31
Rot. Bonds1

About ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate

ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate (PubChem CID 13415531) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-2H-pyridine-1-carboxylate
PubChem CID13415531
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2,3-dimethyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=C(C)C1C
InChIInChI=1S/C10H15NO2/c1-4-13-10(12)11-7-5-6-8(2)9(11)3/h5-7,9H,4H2,1-3H3
InChIKeyKOLSWEFHAJRFGQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-ethyl-1(6H)-pyridinecarboxylate
CID 12565505
7-Methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793537
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate (CID 13415531) is ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=C(C)C1C.
What is the InChIKey of ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate?
The InChIKey is KOLSWEFHAJRFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-13-10(12)11-7-5-6-8(2)9(11)3/h5-7,9H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate?
ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 13415531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).