benzyl 2-ethoxypyridine-3-carboxylate

C15H15NO3 — CID 2369615

IUPACbenzyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-18-14-13(9-6-10-16-14)15(17)19-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyMPBPHXXVYJZEIK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds5

About benzyl 2-ethoxypyridine-3-carboxylate

benzyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2369615) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-ethoxypyridine-3-carboxylate
PubChem CID2369615
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namebenzyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-18-14-13(9-6-10-16-14)15(17)19-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyMPBPHXXVYJZEIK-UHFFFAOYSA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
diethyl 5-amino-3-[(2-ethoxypyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 16524340
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2098215
ethyl 6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4028683
ethyl (4R)-6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41152100
naphthalen-1-yl 2-ethoxypyridine-3-carboxylate
CID 7913806
4-(1,3-dioxoisoindol-2-yl)butyl 2-ethoxypyridine-3-carboxylate
CID 16524312
ethyl 2-[(4-benzyl-1,2,5-oxadiazol-3-yl)oxy]pyridine-3-carboxylate
CID 69206475
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-ethoxypyridine-3-carboxylate
CID 2497842
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of benzyl 2-ethoxypyridine-3-carboxylate (CID 2369615) is benzyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for benzyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for benzyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is MPBPHXXVYJZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-18-14-13(9-6-10-16-14)15(17)19-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of benzyl 2-ethoxypyridine-3-carboxylate?
benzyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2369615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).