ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate

C16H14N2O4 — CID 47082860

IUPACethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccc(C#N)cc1OC
InChIInChI=1S/C16H14N2O4/c1-3-21-16(19)12-5-4-8-18-15(12)22-13-7-6-11(10-17)9-14(13)20-2/h4-9H,3H2,1-2H3
InChIKeyLRFDIBWJFKYYKX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate

ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate (PubChem CID 47082860) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
PubChem CID47082860
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Nameethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Oc1ccc(C#N)cc1OC
InChIInChI=1S/C16H14N2O4/c1-3-21-16(19)12-5-4-8-18-15(12)22-13-7-6-11(10-17)9-14(13)20-2/h4-9H,3H2,1-2H3
InChIKeyLRFDIBWJFKYYKX-UHFFFAOYSA-N
XLogP2.93
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-cyano-2-methoxybenzoate
CID 117275313
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
2-(4-cyano-2-methoxyphenoxy)pyridine-3-sulfonamide
CID 115928413
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
ethyl 2-(5-bromo-2,3-difluorophenoxy)pyridine-3-carboxylate
CID 107099524
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
ethyl 5-cyano-2-ethyl-3-methoxybenzoate
CID 134614308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate (CID 47082860) is ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Oc1ccc(C#N)cc1OC.
What is the InChIKey of ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate?
The InChIKey is LRFDIBWJFKYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-21-16(19)12-5-4-8-18-15(12)22-13-7-6-11(10-17)9-14(13)20-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate?
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 47082860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).