methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate

C16H14N2O4 — CID 1471658

IUPACmethyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H14N2O4/c1-10-14(16(19)21-3)8-11(9-17)15(18-10)22-13-6-4-12(20-2)5-7-13/h4-8H,1-3H3
InChIKeyDXPBGLFCLKCOFV-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.85
Rot. Bonds4

About methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate

methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate (PubChem CID 1471658) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
PubChem CID1471658
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H14N2O4/c1-10-14(16(19)21-3)8-11(9-17)15(18-10)22-13-6-4-12(20-2)5-7-13/h4-8H,1-3H3
InChIKeyDXPBGLFCLKCOFV-UHFFFAOYSA-N
XLogP2.85
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate (CID 1471658) is methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C.
What is the InChIKey of methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate?
The InChIKey is DXPBGLFCLKCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10-14(16(19)21-3)8-11(9-17)15(18-10)22-13-6-4-12(20-2)5-7-13/h4-8H,1-3H3.
What are the key properties of methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate?
methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 1471658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).