ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate

C12H15NO3 — CID 133080995

IUPACethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1OCC1CC1
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)11-10(4-3-7-13-11)16-8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyVCFUURKUDDQZEM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.05
Rot. Bonds5

About ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate

ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate (PubChem CID 133080995) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
PubChem CID133080995
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1OCC1CC1
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)11-10(4-3-7-13-11)16-8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyVCFUURKUDDQZEM-UHFFFAOYSA-N
XLogP2.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-aminopyridine-2-carboxylate
CID 565054
3-ethoxypyridine-2-carbonyl chloride
CID 142800977
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349
ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
CID 157252746
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
ethyl 3-[[(2R,4S)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxylate
CID 66961707
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
ethyl 6-amino-5-cyano-4-[2-(cyclopropylmethoxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390658
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate (CID 133080995) is ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncccc1OCC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate?
The InChIKey is VCFUURKUDDQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-12(14)11-10(4-3-7-13-11)16-8-9-5-6-9/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate?
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 133080995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).