methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate

C12H15NO4 — CID 169292722

IUPACmethyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C2CC2)c(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-15-10-8(7-4-5-7)6-13-9(11(10)16-2)12(14)17-3/h6-7H,4-5H2,1-3H3
InChIKeyARFUQCAFEDTMKJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.76
Rot. Bonds4

About methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate

methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate (PubChem CID 169292722) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
PubChem CID169292722
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C2CC2)c(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-15-10-8(7-4-5-7)6-13-9(11(10)16-2)12(14)17-3/h6-7H,4-5H2,1-3H3
InChIKeyARFUQCAFEDTMKJ-UHFFFAOYSA-N
XLogP1.76
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate (CID 169292722) is methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate is COC(=O)c1ncc(C2CC2)c(OC)c1OC.
What is the InChIKey of methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate?
The InChIKey is ARFUQCAFEDTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-10-8(7-4-5-7)6-13-9(11(10)16-2)12(14)17-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate?
methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate is sourced from PubChem (CID 169292722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).