methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate

C12H14N2O3 — CID 1471659

IUPACmethyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(OC(C)C)nc1C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-11-9(6-13)5-10(8(3)14-11)12(15)16-4/h5,7H,1-4H3
InChIKeyOZGWVFAODPUOEL-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.84
Rot. Bonds3

About methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate (PubChem CID 1471659) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate
PubChem CID1471659
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(OC(C)C)nc1C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-11-9(6-13)5-10(8(3)14-11)12(15)16-4/h5,7H,1-4H3
InChIKeyOZGWVFAODPUOEL-UHFFFAOYSA-N
XLogP1.84
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate (CID 1471659) is methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate is COC(=O)c1cc(C#N)c(OC(C)C)nc1C.
What is the InChIKey of methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is OZGWVFAODPUOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)17-11-9(6-13)5-10(8(3)14-11)12(15)16-4/h5,7H,1-4H3.
What are the key properties of methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 1471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).